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2-[(E)-Cinnamyl]-6-methoxy-benzoic acid
SpectraBase Compound ID 8cgMRpMshjW
InChI InChI=1S/C17H16O3/c1-20-15-12-6-11-14(16(15)17(18)19)10-5-9-13-7-3-2-4-8-13/h2-9,11-12H,10H2,1H3,(H,18,19)/b9-5+
InChIKey GLEHLCAUFZTOGG-WEVVVXLNSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aHUFkbDSi
Name 2-[(E)-Cinnamyl]-6-methoxy-benzoic acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.109944372 u
Formula C17H16O3
InChI InChI=1S/C17H16O3/c1-20-15-12-6-11-14(16(15)17(18)19)10-5-9-13-7-3-2-4-8-13/h2-9,11-12H,10H2,1H3,(H,18,19)/b9-5+
InChIKey GLEHLCAUFZTOGG-WEVVVXLNSA-N
Instrument Name Waters GCT Premier CAB163
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201712520
Molecular Weight 268.312 g/mol
Quality 166
Reported Formula C17H16O3
SMILES OC(C1=C(C\C=C\C2=CC=CC=C2)C=CC=C1OC)=O
SPLASH splash10-0kxr-0940000000-1772415d99eac515f740
Source of Spectrum ACI-57-SM16-3bc (DOI: 10.1002/anie.201712520)
Wiley ID 1893520