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trans-Cinnamic Acid
SpectraBase Compound ID 3qQUCKKT1iQ
InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey WBYWAXJHAXSJNI-VOTSOKGWSA-N
Mol Weight 148.16 g/mol
Molecular Formula C9H8O2
Exact Mass 148.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rPFUXA14nK
Name 3-Phenyl-2-propenoic acid
CAS Registry Number 621-82-9
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 148.052429496 u
Formula C9H8O2
InChI InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey WBYWAXJHAXSJNI-VOTSOKGWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 148.161 g/mol
Nominal Mass 148 u
Quality 891
Retention Index 1079
SMILES OC(\C=C\C1=CC=CC=C1)=O
SPLASH splash10-0f6t-5900000000-331a34b9451dc55048e9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Propenoic acid,3-phenyl 2-Propenoic acid,3-phenyl- 3-phenylprop-2-enoic acid
Technique GC/MS
Wiley ID DD2024_022304