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1-Pyrrolidinecarbothioic acid, 2-(2-acetyl-3-oxobutyl)-, methyl ester
SpectraBase Compound ID Fa4HWBB84CB
InChI InChI=1S/C12H19NO3S/c1-8(14)11(9(2)15)7-10-5-4-6-13(10)12(16)17-3/h10-11H,4-7H2,1-3H3
InChIKey XOQNDVOXPABVHL-UHFFFAOYSA-N
Mol Weight 257.35 g/mol
Molecular Formula C12H19NO3S
Exact Mass 257.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2czKAmqYg6u
Name 1-Pyrrolidinecarbothioic acid, 2-(2-acetyl-3-oxobutyl)-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3S
InChI InChI=1S/C12H19NO3S/c1-8(14)11(9(2)15)7-10-5-4-6-13(10)12(16)17-3/h10-11H,4-7H2,1-3H3
InChIKey XOQNDVOXPABVHL-UHFFFAOYSA-N
Molecular Weight 257.348 g/mol
SMILES C1(CCCN1C(=O)SC)CC(C(=O)C)C(=O)C
SPLASH splash10-00kf-8900000000-351b69194e76179db496
Synonyms 2-(2-acetyl-3-keto-butyl)pyrrolidine-1-carbothioic acid S-methyl ester 2-(2-acetyl-3-oxobutyl)-1-pyrrolidinecarbothioic acid S-methyl ester S-methyl 2-(2-acetyl-3-oxo-butyl)pyrrolidine-1-carbothioate S-Methyl 2-(2-acetyl-3-oxobutyl)-1-pyrrolidinecarbothioate S-methyl 2-(2-ethanoyl-3-oxidanylidene-butyl)pyrrolidine-1-carbothioate
Wiley ID 1477363