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2-Pyrrolidinone, 4-(1-methoxyethyl)-3-methyl-5-thioxo-, [3.alpha.,4.beta.(R*)]-(.+-.)-
SpectraBase Compound ID GoiY0u7Rbvs
InChI InChI=1S/C8H13NO2S/c1-4-6(5(2)11-3)8(12)9-7(4)10/h4-6H,1-3H3,(H,9,10,12)/t4-,5-,6-/m1/s1
InChIKey QKDGBWKWSCSXET-HSUXUTPPSA-N
Mol Weight 187.26 g/mol
Molecular Formula C8H13NO2S
Exact Mass 187.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iqvX5Fu5t4
Name 2-Pyrrolidinone, 4-(1-methoxyethyl)-3-methyl-5-thioxo-, [3.alpha.,4.beta.(R*)]-(.+-.)-
CAS Registry Number 77236-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO2S
InChI InChI=1S/C8H13NO2S/c1-4-6(5(2)11-3)8(12)9-7(4)10/h4-6H,1-3H3,(H,9,10,12)/t4-,5-,6-/m1/s1
InChIKey QKDGBWKWSCSXET-HSUXUTPPSA-N
Molecular Weight 187.257 g/mol
SMILES N1C([C@@]([C@@](C1=S)([C@](OC)(C)[H])[H])(C)[H])=O
SPLASH splash10-0a4r-6900000000-37c075d263aa3c8112cf
Source of Spectrum K-116-140-0
Synonyms rac-(3RS,4SR,4(1)RS)-4-(1-Methoxyethyl)-3-methyl-5-thioxo-2-pyrrolidinone (3R,4R)-4-[(1R)-1-methoxyethyl]-3-methyl-5-thioxo-2-pyrrolidinone (3RS,4SR,4'RS)- and (3RS,4SR,4'SR)-4-(1-methoxyethyl)-3-methyl-5-thioxo-2-pyrrolidinone
Wiley ID 1183658