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CAS Number: 21898-84-0
4-oxatricyclo[4.3.1.13,8]undecan-5-one

Structure

4-oxatricyclo[4.3.1.13,8]undecan-5-one
Name: 4-oxatricyclo[4.3.1.13,8]undecan-5-one
Synonyms:
General Information
Product Number: 21898840

CAS Registry Number 21898-84-0
Name:
4-?Oxatricyclo[4.3.1.13,?8]?undecan-?5-?one
4-Oxahomoadamantan-5-one

 

Chemical Formula: C10H14O2
Exact Mass: 166.10
Molecular Weight: 166.22
m/z: 166.10 (100.0%), 167.10 (10.9%)

 

InChI:InChI=1S/C10H14O2/c11-10-8-2-6-1-7(3-8)5-9(4-6)12-10/h6-9H,1-5H2

InChI Key:ZSCDRSWJZRRPGN-UHFFFAOYSA-N

Canonical SMILES:C1C2CC3CC1CC(C2)OC3=O

 

Thermal Properties Value Condition Note
Melting Point 288-290 °C   (14)CAS
Melting Point 288-289 °C   (12)IC
Melting Point 287-288 °C   (15)CAS
Melting Point 286-288 °C   (16)IC
Melting Point 284-286 °C   (11)IC
Melting Point 188-192 °C   (10)CAS

Specification

98%

References
  1. (10) Snajdrova, Radka; Journal of Organic Chemistry 2007, V72(25), P9597-9603 CAPLUS
  2. (11) Kaufmann, Dieter; Tetrahedron 1982, V38(7), P977-89 CAPLUS
  3. (12) Partch, Richard; Croatica Chemica Acta 1986, V58(4), P661-9 CAPLUS
  4. (14) Banister, Samuel D.; Bioorganic & Medicinal Chemistry Letters 2011, V21(18), P5289-5292 CAPLUS
  5. (15) Marchand, Alan P.; Journal of Organic Chemistry 2001, V66(6), P2072-2077 CAPLUS
  6. (16) Mehta, Goverdhan; Synthesis 1975, (6), P404-5 CAPLUS
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