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3-Methylbenzoic acid anhydride
SpectraBase Compound ID Keeo8tpktq3
InChI InChI=1S/C16H14O3/c1-11-5-3-7-13(9-11)15(17)19-16(18)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKey DGZSQLHPEZFGSI-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JaVNsIjAuG
Name 3-Methylbenzoic acid anhydride
CAS Registry Number 21436-44-2
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 254.094294308 u
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-11-5-3-7-13(9-11)15(17)19-16(18)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKey DGZSQLHPEZFGSI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 254.285 g/mol
Nominal Mass 254 u
Quality 989
Retention Index 2183
SMILES C1(C(OC(C=2C=C(C=CC2)C)=O)=O)=CC(=CC=C1)C
SPLASH splash10-014i-7910000000-9873e57ad9ae8f20a6a1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Methylbenzoic anhydride
Technique GC/MS
Wiley ID DD2024_026258