SpectraBase Spectrum ID |
HlliScziE7 |
Name |
Bourgeonal acid |
Classification |
Phenylpropanoic acids |
Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
Exact Mass |
206.130679818 u |
Formula |
C13H18O2 |
InChI |
InChI=1S/C13H18O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-5,7-8H,6,9H2,1-3H3,(H,14,15) |
InChIKey |
BNJYANVQFVSYEK-UHFFFAOYSA-N |
Molecular Weight |
206.285 g/mol |
Number of Peaks |
11 |
SMILES |
OC(CCc1ccc(C(C)(C)C)cc1)=O |
SPLASH |
splash10-052e-0940000000-0c28d345c61d148ad936 |
Source of Spectrum |
FF-28-318-318_4 (DOI: 10.1002/ffj.3168) |
Synonyms |
3-(4-(tert-butyl)phenyl)propanoic acid
3-(4-tert-butylphenyl)propanoic acid |
Wiley ID |
1775619 |