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

*Links on SpectraBase are not permalinks.
2-Phenoxypropionic acid
SpectraBase Compound ID 1YtFqxk6Aeh
InChI InChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKey SXERGJJQSKIUIC-UHFFFAOYSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 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 8uM0MYMQGmD
Name 2-Phenoxypropionic acid
Source of Sample Sigma-Aldrich Cat. #197149
CAS Registry Number 940-31-8
Classification Pesticides: Intermediers
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 166.062994179 u
Formula C9H10O3
InChI InChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKey SXERGJJQSKIUIC-UHFFFAOYSA-N
Molecular Weight 166.176 g/mol
Number of Peaks 44
RI1 1399
SMILES OC(C(C)Oc1ccccc1)=O
SPLASH splash10-00r6-9500000000-115ace37cbd6de1adcf8
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Propanoic acid, 2-phenoxy-
Wiley ID LM_PEST_741