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1,2-Benzenedicarboxylic acid butyl methylester
SpectraBase Compound ID 2s1ekgSES0s
InChI InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3
InChIKey XXFSYINDUHLBIL-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4u9IUPtZrEM
Name O2-butyl O1-methyl benzene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3
InChIKey XXFSYINDUHLBIL-UHFFFAOYSA-N
Instrument Name Thermo Fisher Scientific TSQ
Ionization Type EI
Literature Reference DOI 10.1002/jssc.202000316
Molecular Weight 236.267 g/mol
SMILES c1cc(c(cc1)C(OCCCC)=O)C(=O)OC
SPLASH splash10-03dj-1900000000-8438b7ecd6fdef2cdf41
Source of Spectrum SEP-43-SM11-MBP-Me
Wiley ID 1849408