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DI-(PARA-TOLYLCARBONYL)-ETHER
SpectraBase Compound ID 2tOkoGBkbRS
InChI InChI=1S/C16H14O3/c1-11-3-7-13(8-4-11)15(17)19-16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey BJMLLSSSTGHJJE-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 JEq1JWd6Rfc
Name 4-Methylbenzoic acid anhydride
CAS Registry Number 13222-85-0
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 254.094294308 u
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-11-3-7-13(8-4-11)15(17)19-16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey BJMLLSSSTGHJJE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 254.285 g/mol
Nominal Mass 254 u
Quality 1000
Retention Index 2151
SMILES C(C1=CC=C(C=C1)C)(OC(C=1C=CC(=CC1)C)=O)=O
SPLASH splash10-014i-7930000000-052de15ba4ab8952310a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic 4-methylbenzoic anhydride
Technique GC/MS
Wiley ID DD2024_025324