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(4R,4aS,7aR)-4-Methyl-7a-{(1S)-1-[(R)-N-methylphenylsulfonimidoyl]pent-4-en-1-yl}hexahydrocyclopenta[d][1,3]oxazin-2(1H)-one

View entire compound with spectra: 1 MS (GC)

(4R,4aS,7aR)-4-Methyl-7a-{(1S)-1-[(R)-N-methylphenylsulfonimidoyl]pent-4-en-1-yl}hexahydrocyclopenta[d][1,3]oxazin-2(1H)-one
SpectraBase Compound ID HwdEUAVzqFD
InChI InChI=1S/C20H28N2O3S/c1-4-5-13-18(26(24,21-3)16-10-7-6-8-11-16)20-14-9-12-17(20)15(2)25-19(23)22-20/h4,6-8,10-11,15,17-18H,1,5,9,12-14H2,2-3H3,(H,22,23)/t15-,17-,18+,20-,26+/m1/s1
InChIKey AKGKARKXLJHFKO-HIWZNRLNSA-N
Mol Weight 376.52 g/mol
Molecular Formula C20H28N2O3S
Exact Mass 376.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rSxM2bBo9r
Name (4R,4aS,7aR)-4-Methyl-7a-{(1S)-1-[(R)-N-methylphenylsulfonimidoyl]pent-4-en-1-yl}hexahydrocyclopenta[d][1,3]oxazin-2(1H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O3S
InChI InChI=1S/C20H28N2O3S/c1-4-5-13-18(26(24,21-3)16-10-7-6-8-11-16)20-14-9-12-17(20)15(2)25-19(23)22-20/h4,6-8,10-11,15,17-18H,1,5,9,12-14H2,2-3H3,(H,22,23)/t15-,17-,18+,20-,26+/m1/s1
InChIKey AKGKARKXLJHFKO-HIWZNRLNSA-N
Molecular Weight 376.515 g/mol
SMILES N1C(O[C@@]([C@@]2([C@@]1([C@@]([S@@](=NC)(=O)c1ccccc1)(CCC=C)[H])CCC2)[H])(C)[H])=O
SPLASH splash10-001i-0910000000-7ae9824043a2d1635da9
Source of Spectrum U1-2014-3366-26
Synonyms (4R,4aS,7aR)-4-methyl-7a-(1-((R)-N-methylphenylsulfonimidoyl)pent-4-en-1-yl)hexahydrocyclopenta[d][1,3]oxazin-2(1H)-one
Wiley ID 1740740