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O2-butyl O1-methyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
SpectraBase Compound ID 55T7PgOADwP
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/i5D,6D,7D,8D
InChIKey XXFSYINDUHLBIL-KDWZCNHSSA-N
Mol Weight 240.29 g/mol
Molecular Formula C13H12D4O4
Exact Mass 240.129966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ee3CZrE8JC
Name O2-butyl O1-methyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12D4O4
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/i5D,6D,7D,8D
InChIKey XXFSYINDUHLBIL-KDWZCNHSSA-N
Instrument Name Thermo Fisher Scientific TSQ
Ionization Type EI
Literature Reference DOI 10.1002/jssc.202000316
Molecular Weight 240.291 g/mol
SMILES c1(c(c(c(c(c1[D])[D])C(OCCCC)=O)C(=O)OC)[D])[D]
SPLASH splash10-0gb9-2900000000-fe2b83460661297b6de7
Source of Spectrum SEP-43-SM14-MBP-Me-d4
Wiley ID 1849407