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S-(1Z,1'R(*),3R9*),4'S(*))-3-(4'-t-butoxy-1'-hydroxycyclopent-2'-enyl)oct-1-enyl N,N-dimethylthiocarbamate
SpectraBase Compound ID 1uBV6yMXoMo
InChI InChI=1S/C20H35NO3S/c1-7-8-9-10-16(12-14-25-18(22)21(5)6)20(23)13-11-17(15-20)24-19(2,3)4/h11-14,16-17,23H,7-10,15H2,1-6H3/b14-12-/t16-,17-,20+/m1/s1
InChIKey WLZGHBGZZHWHMH-YICQFEMYSA-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 29RtSXrkI6C
Name S-(1Z,1'R(*),3R9*),4'S(*))-3-(4'-t-butoxy-1'-hydroxycyclopent-2'-enyl)oct-1-enyl N,N-dimethylthiocarbamate
CAS Registry Number 112837-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35NO3S
InChI InChI=1S/C20H35NO3S/c1-7-8-9-10-16(12-14-25-18(22)21(5)6)20(23)13-11-17(15-20)24-19(2,3)4/h11-14,16-17,23H,7-10,15H2,1-6H3/b14-12-/t16-,17-,20+/m1/s1
InChIKey WLZGHBGZZHWHMH-YICQFEMYSA-N
Molecular Weight 369.564 g/mol
SMILES O[C@]1(C=C[C@](C1)(OC(C)(C)C)[H])[C@@](\C=C/SC(N(C)C)=O)(CCCCC)[H]
SPLASH splash10-056r-9310000000-4fbe6e3d8084dbcbb256
Source of Spectrum B-40-963-43
Synonyms S-{(1Z,3R)-3-[(1R,4S)-4-tert-butoxy-1-hydroxy-2-cyclopenten-1-yl]-1-octenyl} dimethylthiocarbamate
Wiley ID 1353665