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S-(1R(*),1'S(*),2Z,2'S(*))-1-(2'-t-butoxy-4'-oxocyclopentyl)oct-2-enyl N,N-dimethylthiocarbamate
SpectraBase Compound ID 734GwM0rNcP
InChI InChI=1S/C20H35NO3S/c1-7-8-9-10-11-12-18(25-19(23)21(5)6)16-13-15(22)14-17(16)24-20(2,3)4/h11-12,16-18H,7-10,13-14H2,1-6H3/b12-11+/t16-,17-,18+/m0/s1
InChIKey GBYKTFOSYXSJDX-VJDJOIBPSA-N
Mol Weight 369.6 g/mol
Molecular Formula C20H35NO3S
Exact Mass 369.233765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LQ4BbELT4r
Name S-(1R(*),1'S(*),2Z,2'S(*))-1-(2'-t-butoxy-4'-oxocyclopentyl)oct-2-enyl N,N-dimethylthiocarbamate
CAS Registry Number 112837-01-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35NO3S
InChI InChI=1S/C20H35NO3S/c1-7-8-9-10-11-12-18(25-19(23)21(5)6)16-13-15(22)14-17(16)24-20(2,3)4/h11-12,16-18H,7-10,13-14H2,1-6H3/b12-11+/t16-,17-,18+/m0/s1
InChIKey GBYKTFOSYXSJDX-VJDJOIBPSA-N
Molecular Weight 369.564 g/mol
SMILES C(S[C@@]([C@@]1([C@](CC(C1)=O)(OC(C)(C)C)[H])[H])(\C=C\CCCCC)[H])(N(C)C)=O
SPLASH splash10-0a4i-9300000000-a2131fd3d11625a94db8
Source of Spectrum B-40-964-35
Synonyms S-{(1R,2E)-1-[(1S,2S)-2-tert-butoxy-4-oxocyclopentyl]-2-octenyl} dimethylthiocarbamate
Wiley ID 1353669