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Dimethyl ester of 2-[(methylthio)methyl]-1,1-cyclopentanedicarboxylic acid
SpectraBase Compound ID ILUH425Gmey
InChI InChI=1S/C11H18O4S/c1-14-9(12)11(10(13)15-2)6-4-5-8(11)7-16-3/h8H,4-7H2,1-3H3
InChIKey HENAINVLGIUKKG-UHFFFAOYSA-N
Mol Weight 246.32 g/mol
Molecular Formula C11H18O4S
Exact Mass 246.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUNguFiIP3C
Name Dimethyl ester of 2-[(methylthio)methyl]-1,1-cyclopentanedicarboxylic acid
Alternate Name(s) Dimethyl 2-[(methylsulfanyl)methyl]-1,1-cyclopentanedicarboxylate
CAS Registry Number 94518-05-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4S
InChI InChI=1S/C11H18O4S/c1-14-9(12)11(10(13)15-2)6-4-5-8(11)7-16-3/h8H,4-7H2,1-3H3
InChIKey HENAINVLGIUKKG-UHFFFAOYSA-N
Molecular Weight 246.321 g/mol
SMILES C1(C(=O)OC)(C(=O)OC)C(CSC)CCC1
SPLASH splash10-002b-9880000000-a1fa0c191bb041b152f3
Source of Spectrum C-107-2130-0
Wiley ID 1248544