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

*Links on SpectraBase are not permalinks.

alpha-Butyl-beta-hydroxyhydratropic acid

View entire compound with spectra: 1 FTIR, and 1 Raman

alpha-Butyl-beta-hydroxyhydratropic acid
SpectraBase Compound ID 3Lzb1q1j2rZ
InChI InChI=1S/C13H18O3/c1-2-3-9-13(10-14,12(15)16)11-7-5-4-6-8-11/h4-8,14H,2-3,9-10H2,1H3,(H,15,16)
InChIKey AWWKHBZPMZGSTQ-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HwNfS4Q91mu
Name alpha-Butyl-beta-hydroxyhydratropic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-2-3-9-13(10-14,12(15)16)11-7-5-4-6-8-11/h4-8,14H,2-3,9-10H2,1H3,(H,15,16)
InChIKey AWWKHBZPMZGSTQ-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OCC(C(O)=O)(CCCC)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.990502