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CAS Number: 30711-40-1
1-(thiophen-2-yl)heptan-1-one

Structure

 1-(thiophen-2-yl)heptan-1-one
Name: 1-(thiophen-2-yl)heptan-1-one
Synonyms:
General Information
Product Number: 30711401

CAS Registry Number 30711-40-1
Name:
1-?Heptanone, 1-?(2-?thienyl)?-
1-(2-Thienyl)-1-heptanone
2-Heptanoylthiophene

 

Chemical Formula: C11H16OS
Exact Mass: 196.09
Molecular Weight: 196.31
m/z: 196.09 (100.0%), 197.10 (12.1%), 198.09 (4.6%)

 

InChI:InChI=1S/C11H16OS/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3

InChI Key:BDNFJEMAAFFMFH-UHFFFAOYSA-N

Canonical SMILES:CCCCCCC(=O)C1=CC=CS1

 

Thermal Properties Value Condition Note
Boiling Point 170-171 °C Press: 22 Torr (1)CAS
Boiling Point 80 °C Press: 0.10 Torr (2)IC

Specification

98%
References
  1. (1) Badger, G. M.; Journal of the Chemical Society 1954, P4162-8 CAPLUS
  2. (2) Kozikowski, Alan P.; Tetrahedron 1985, V41(21), P4821-34 CAPLUS
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