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Hydrocinnamic acid
SpectraBase Compound ID FPviF75f7Ww
InChI InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey XMIIGOLPHOKFCH-UHFFFAOYSA-N
Mol Weight 150.18 g/mol
Molecular Formula C9H10O2
Exact Mass 150.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dmen0m6sCuG
Name Benzenepropanoic acid
CAS Registry Number 501-52-0
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 150.068079560 u
Formula C9H10O2
InChI InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey XMIIGOLPHOKFCH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 150.177 g/mol
Nominal Mass 150 u
Quality 906
Retention Index 1091
SMILES OC(CCC1=CC=CC=C1)=O
SPLASH splash10-0udl-9600000000-786dbc8a64e45cbe51b8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Phenylpropionic acid
Technique GC/MS
Wiley ID DD2024_000222