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4-Butylbenzoic acid anhydride
SpectraBase Compound ID BvcAh8g070W
InChI InChI=1S/C22H26O3/c1-3-5-7-17-9-13-19(14-10-17)21(23)25-22(24)20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3
InChIKey XXUKTDGSTTXZEL-UHFFFAOYSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JF9aalewkhE
Name 4-Butylbenzoic acid anhydride
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 338.188194694 u
Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-3-5-7-17-9-13-19(14-10-17)21(23)25-22(24)20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3
InChIKey XXUKTDGSTTXZEL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 338.447 g/mol
Nominal Mass 338 u
Quality 997
Retention Index 2797
SMILES C=1(C(OC(C=2C=CC(=CC2)CCCC)=O)=O)C=CC(=CC1)CCCC
SPLASH splash10-03di-2900000000-1291ae80a34f8c3e69f8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-butylbenzoyl 4-butylbenzoate
Technique GC/MS
Wiley ID DD2024_023723