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O2-isobutyl O1-methyl benzene-1,2-dicarboxylate
SpectraBase Compound ID LlkOuTOBh6
InChI InChI=1S/C13H16O4/c1-9(2)8-17-13(15)11-7-5-4-6-10(11)12(14)16-3/h4-7,9H,8H2,1-3H3
InChIKey HRJOMMSRROBCMQ-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 uwIMa3P4XY
Name O2-isobutyl O1-methyl benzene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-9(2)8-17-13(15)11-7-5-4-6-10(11)12(14)16-3/h4-7,9H,8H2,1-3H3
InChIKey HRJOMMSRROBCMQ-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(OCC(C)C)=O)C(=O)OC
SPLASH splash10-03di-3900000000-377df5050c5e390fdc52
Source of Spectrum SEP-43-SM10-MiBP-Me
Wiley ID 1849413