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Captopril di-methyl derivative
SpectraBase Compound ID 4nmohiKRMGz
InChI InChI=1S/C11H19NO3S/c1-8(7-16-3)10(13)12-6-4-5-9(12)11(14)15-2/h8-9H,4-7H2,1-3H3
InChIKey QIDHYXZIKNWIKJ-UHFFFAOYSA-N
Mol Weight 245.34 g/mol
Molecular Formula C11H19NO3S
Exact Mass 245.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dp5lN26tRtq
Name Captopril di-methyl derivative
Alternate Name(s) Methyl 1-[2-methyl-3-(methylsulfanyl)propanoyl]-2-pyrrolidinecarboxylate 1-[2-methyl-3-(methylthio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester Methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate Methyl 1-(2-methyl-3-methylsulfanyl-propanoyl)pyrrolidine-2-carboxylate
CAS Registry Number 97293-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19NO3S
InChI InChI=1S/C11H19NO3S/c1-8(7-16-3)10(13)12-6-4-5-9(12)11(14)15-2/h8-9H,4-7H2,1-3H3
InChIKey QIDHYXZIKNWIKJ-UHFFFAOYSA-N
Molecular Weight 245.337 g/mol
SMILES C1CCN(C1C(OC)=O)C(C(CSC)C)=O
SPLASH splash10-00dr-9610000000-cd6e0d142d27d2a15f30
Source of Spectrum CJ-1992-0-0
Wiley ID 1247819