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hydrocinnamic anhydride
SpectraBase Compound ID 7fD3QYoWsfE
InChI InChI=1S/C18H18O3/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey SQAHPYZABTWPNY-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEc12GWZQmG
Name 3-Phenylpropanoic anhydride
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 282.125594437 u
Formula C18H18O3
InChI InChI=1S/C18H18O3/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey SQAHPYZABTWPNY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 282.339 g/mol
Nominal Mass 282 u
Quality 997
Retention Index 2561
SMILES C1(CCC(OC(CCC=2C=CC=CC2)=O)=O)=CC=CC=C1
SPLASH splash10-0zfu-5900000000-9e29d9b0e0e3fa52ccaa
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-phenylpropanoyl 3-phenyl propanoate
Technique GC/MS
Wiley ID DD2024_032166