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2-Phenylthio-1,4-butanedicarboxylic acid dimethyl ester
SpectraBase Compound ID GFNecIqg3qu
InChI InChI=1S/C12H14O4S/c1-15-11(13)8-10(12(14)16-2)17-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey DUXDHXOTAWOLFK-UHFFFAOYSA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7e4BWsF2m1U
Name 2-Phenylthio-1,4-butanedicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c1-15-11(13)8-10(12(14)16-2)17-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey DUXDHXOTAWOLFK-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 254.300 g/mol
SMILES COC(=O)CC(C(=O)OC)Sc1ccccc1
SPLASH splash10-000l-3910000000-5c8860cbde8b723e34f3
Source of Spectrum SRH-2022-10141-0
Wiley ID 1831763