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2-Propenoic acid, 3-phenyl-, phenylmethyl ester
SpectraBase Compound ID 6gLjhpltm6
InChI InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
InChIKey NGHOLYJTSCBCGC-VAWYXSNFSA-N
Mol Weight 238.29 g/mol
Molecular Formula C16H14O2
Exact Mass 238.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm4Cae9H8SG
Name Benzyl cinnamate
CAS Registry Number 78277-23-3
Classification Antiseptic, disinfectant
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 238.099379689 u
Formula C16H14O2
InChI InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
InChIKey NGHOLYJTSCBCGC-VAWYXSNFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 238.286 g/mol
Nominal Mass 238 u
Quality 952
Retention Index 2100
SMILES C=1(\C=C\C(OCC=2C=CC=CC2)=O)C=CC=CC1
SPLASH splash10-0006-9800000000-884f6447ce3b61091a9d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Cinnamein (E)-Benzylcinnamat trans-Zimtsaeurebenzyl ester benzyl (2E)-3-phenylprop-2-enoate
Technique GC/MS
Wiley ID DD2024_006920