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(3R,4R)-3-(2,2-Dimethylpropyl)-4-[(phenylthio)methyl]-1-(2-propenyl)-2-pyrrolidinone

View entire compound with spectra: 1 MS (GC)

(3R,4R)-3-(2,2-Dimethylpropyl)-4-[(phenylthio)methyl]-1-(2-propenyl)-2-pyrrolidinone
SpectraBase Compound ID 1Omk4fdx2mv
InChI InChI=1S/C19H27NOS/c1-5-11-20-13-15(14-22-16-9-7-6-8-10-16)17(18(20)21)12-19(2,3)4/h5-10,15,17H,1,11-14H2,2-4H3/t15-,17-/m1/s1
InChIKey MXBUPTHGKVKXMF-NVXWUHKLSA-N
Mol Weight 317.49 g/mol
Molecular Formula C19H27NOS
Exact Mass 317.181336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID En6wCmDbTtt
Name (3R,4R)-3-(2,2-Dimethylpropyl)-4-[(phenylthio)methyl]-1-(2-propenyl)-2-pyrrolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NOS
InChI InChI=1S/C19H27NOS/c1-5-11-20-13-15(14-22-16-9-7-6-8-10-16)17(18(20)21)12-19(2,3)4/h5-10,15,17H,1,11-14H2,2-4H3/t15-,17-/m1/s1
InChIKey MXBUPTHGKVKXMF-NVXWUHKLSA-N
Molecular Weight 317.491 g/mol
SMILES C1(N(C[C@@]([C@]1(CC(C)(C)C)[H])(CSc1ccccc1)[H])CC=C)=O
SPLASH splash10-0gbc-5859000000-53ab49296127212cd991
Source of Spectrum C-118-9838-8
Synonyms (3R,4R)-1-allyl-3-neopentyl-4-[(phenylsulfanyl)methyl]-2-pyrrolidinone trans-3-(2,2-Dimethylpropyl)-4-[(phenylthio)methyl]-1-(2-propenyl)-2-pyrrolidinone
Wiley ID 759999