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Benzoic acid anhydride
SpectraBase Compound ID KD1kGDBrgc9
InChI InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H
InChIKey CHIHQLCVLOXUJW-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C14H10O3
Exact Mass 226.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kotWcUWtV2
Name Benzoic acid anhydride
CAS Registry Number 93-97-0
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 226.062994179 u
Formula C14H10O3
InChI InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H
InChIKey CHIHQLCVLOXUJW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 226.231 g/mol
Nominal Mass 226 u
Quality 1000
Retention Index 1885
SMILES C1(C(OC(C=2C=CC=CC2)=O)=O)=CC=CC=C1
SPLASH splash10-0a4i-4900000000-7ea9227101c1cd0bc5d5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoyl anhydride Benzoyl benzoate
Technique GC/MS
Wiley ID DD2024_022878