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S-(1R(*),1'R(*),2E,2'R(*))-1-(2'-t-butoxy-4'-oxocyclopentyl)oct-2-enyl N,N-dimethylthiocarbamate
SpectraBase Compound ID 8j3IKp4tkXo
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-/m1/s1
InChIKey GBYKTFOSYXSJDX-BECVJJOHSA-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 9JmE6MTk3SI
Name S-(1R(*),1'R(*),2E,2'R(*))-1-(2'-t-butoxy-4'-oxocyclopentyl)oct-2-enyl N,N-dimethylthiocarbamate
Alternate Name(s) S-{(1R,2E)-1-[(1R,2R)-2-tert-butoxy-4-oxocyclopentyl]-2-octenyl} dimethylthiocarbamate
CAS Registry Number 112837-08-8
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-/m1/s1
InChIKey GBYKTFOSYXSJDX-BECVJJOHSA-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 splash10-0ab9-9300000000-a836448dd0ba3545454b
Source of Spectrum B-40-962-32
Wiley ID 1353660