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CAS Number: 5541-89-9
4-(1H-indol-3-yl)butan-2-one

Structure

 4-(1H-indol-3-yl)butan-2-one
Name: 4-(1H-indol-3-yl)butan-2-one
Synonyms:
General Information
Product Number: 5541899

CAS Registry Number 5541-89-9
Name:
2-?Butanone, 4-?(1H-?indol-?3-?yl)?-
2-Butanone, 4-indol-3-yl- (6CI,7CI,8CI)
4-(1H-Indol-3-yl)-2-butanone
1-(3-Indolyl)-3-butanone
3-(3-Oxo-1-butyl)indole
4-(1H-Indol-3-yl)butan-2-one

 

Chemical Formula: C12H13NO
Exact Mass: 187.10
Molecular Weight: 187.24
m/z: 187.10 (100.0%), 188.10 (13.4%)

 

InChI:InChI=1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3

InChI Key:ZJCUUXGLZWBCIL-UHFFFAOYSA-N

Canonical SMILES:CC(=O)CCC1=CNC2=CC=CC=C21

Specification

98%
References
  1. (1) Damodiran, M.; Journal of Chemical Sciences (Bangalore, India) 2009, V121(1), P65-73 CAPLUS
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