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2-(Phenylthio)malonic acid dimethyl ester
SpectraBase Compound ID Dq6kU6hXyfX
InChI InChI=1S/C11H12O4S/c1-14-10(12)9(11(13)15-2)16-8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey NBCNRBFLONCMPP-UHFFFAOYSA-N
Mol Weight 240.27 g/mol
Molecular Formula C11H12O4S
Exact Mass 240.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGv2yeneWiY
Name 2-(Phenylthio)malonic acid dimethyl ester
Alternate Name(s) 2-(Phenylthio)propanedioic acid dimethyl ester Dimethyl 2-phenylsulfanylpropanedioate
CAS Registry Number 37054-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4S
InChI InChI=1S/C11H12O4S/c1-14-10(12)9(11(13)15-2)16-8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey NBCNRBFLONCMPP-UHFFFAOYSA-N
Molecular Weight 240.273 g/mol
SMILES C(C(=O)OC)(C(=O)OC)Sc1ccccc1
SPLASH splash10-00di-1920000000-287f40e0fb830f5e98fc
Source of Spectrum K-120-1418-11
Wiley ID 1242510