For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoic acid
SpectraBase Compound ID 7cCuNDFKR3c
InChI InChI=1S/C12H12O3/c1-12(2,15)7-6-9-4-3-5-10(8-9)11(13)14/h3-5,8,15H,1-2H3,(H,13,14)
InChIKey VKXLALQKRXWOJK-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4gHFCP0sHQc
Name 3-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-12(2,15)7-6-9-4-3-5-10(8-9)11(13)14/h3-5,8,15H,1-2H3,(H,13,14)
InChIKey VKXLALQKRXWOJK-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES OC(C#Cc1cccc(C(=O)O)c1)(C)C
SPLASH splash10-000i-1900000000-30cff0d9645e2143b14d
Source of Spectrum IY-1-4301-7
Synonyms Benzoic acid, 3-(3-hydroxy-3-methyl-1-butynyl)- 3-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid 3-(3-Methyl-3-oxidanyl-but-1-ynyl)benzoic acid
Wiley ID 1651002