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4-Cinnamoylbenzoic acid
SpectraBase Compound ID 4mnbwpnFgay
InChI InChI=1S/C16H12O3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h1-11H,(H,18,19)
InChIKey XXFQFMHIIWSQAL-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C16H12O3
Exact Mass 252.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vzs5NIJpQ
Name 4-Cinnamoylbenzoic acid
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.078644243 u
Formula C16H12O3
InChI InChI=1S/C16H12O3/c17-15(11-6-12-4-2-1-3-5-12)13-7-9-14(10-8-13)16(18)19/h1-11H,(H,18,19)
InChIKey XXFQFMHIIWSQAL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202101892
Molecular Weight 252.269 g/mol
Quality 60
SMILES OC(C1=CC=C(C(C=CC2=CC=CC=C2)=O)C=C1)=O
SPLASH splash10-0uec-1960000000-de71396a90c69f723ba4
Source of Spectrum QE-27-SM12-5c (DOI: 10.1002/chem.202101892)
Wiley ID 1904097