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rac-S-Cyclohex-2-enyl N-isopropylmonothiocarbamate
SpectraBase Compound ID KM8BydtKdho
InChI InChI=1S/C10H17NOS/c1-8(2)11-10(12)13-9-6-4-3-5-7-9/h4,6,8-9H,3,5,7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKey RPNIZCVEUGCSEJ-SECBINFHSA-N
Mol Weight 199.31 g/mol
Molecular Formula C10H17NOS
Exact Mass 199.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSUOfAubiwT
Name rac-S-Cyclohex-2-enyl N-isopropylmonothiocarbamate
Alternate Name(s) S-[(1S)-2-cyclohexen-1-yl]isopropylthiocarbamate N-propan-2-ylcarbamothioic acid S-[[(1S)-1-cyclohex-2-enyl]] ester S-[(1S)-cyclohex-2-en-1-yl] N-isopropylcarbamothioate S-[(1S)-cyclohex-2-en-1-yl] N-propan-2-ylcarbamothioate
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Formula C10H17NOS
InChI InChI=1S/C10H17NOS/c1-8(2)11-10(12)13-9-6-4-3-5-7-9/h4,6,8-9H,3,5,7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKey RPNIZCVEUGCSEJ-SECBINFHSA-N
Molecular Weight 199.312 g/mol
SMILES N(C(S[C@@]1(C=CCCC1)[H])=O)C(C)C
SPLASH splash10-00aj-9700000000-bb8b4ab73928a866c9bd
Source of Spectrum U1-2002-2979-14
Wiley ID 1523035