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2-Acetylthiomethylpyrrolidine-1-carboxylic acid, t-butyl ester
SpectraBase Compound ID HBSVa3Uh8AR
InChI InChI=1S/C12H21NO3S/c1-9(14)17-8-10-6-5-7-13(10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3
InChIKey NGXUUBLQERVXAJ-UHFFFAOYSA-N
Mol Weight 259.36 g/mol
Molecular Formula C12H21NO3S
Exact Mass 259.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1r4WFpCPZD
Name 2-Acetylthiomethylpyrrolidine-1-carboxylic acid, t-butyl ester
Alternate Name(s) 2-[(acetylthio)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester 2-[(acetylthio)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester tert-Butyl 2-(acetylsulfanylmethyl)pyrrolidine-1-carboxylate tert-Butyl 2-(ethanoylsulfanylmethyl)pyrrolidine-1-carboxylate tert-Butyl 2-[(acetylsulfanyl)methyl]-1-pyrrolidinecarboxylate
CAS Registry Number 73236-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO3S
InChI InChI=1S/C12H21NO3S/c1-9(14)17-8-10-6-5-7-13(10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3
InChIKey NGXUUBLQERVXAJ-UHFFFAOYSA-N
Molecular Weight 259.364 g/mol
SMILES CC(OC(N1CCCC1CSC(=O)C)=O)(C)C
SPLASH splash10-074i-9400000000-4d3d873fdf94e741f1a9
Source of Spectrum E1-37-935-14
Wiley ID 1575007