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N-isopropylthiocarbamic acid S-(3-benzylcyclohexen-1-yl) ester
SpectraBase Compound ID Fzq2Jyuud0g
InChI InChI=1S/C17H23NOS/c1-13(2)18-17(19)20-16-10-6-9-15(12-16)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3,(H,18,19)
InChIKey SPPTYRZSQSDTPO-UHFFFAOYSA-N
Mol Weight 289.44 g/mol
Molecular Formula C17H23NOS
Exact Mass 289.150036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCWderNOH2j
Name N-isopropylthiocarbamic acid S-(3-benzylcyclohexen-1-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NOS
InChI InChI=1S/C17H23NOS/c1-13(2)18-17(19)20-16-10-6-9-15(12-16)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15H,6,9-11H2,1-2H3,(H,18,19)
InChIKey SPPTYRZSQSDTPO-UHFFFAOYSA-N
Molecular Weight 289.437 g/mol
SMILES N(C(SC1=CC(Cc2ccccc2)CCC1)=O)C(C)C
SPLASH splash10-03kc-9600000000-abdf9b7fd7831818db28
Source of Spectrum U1-2002-2983-21
Synonyms S-(3-benzylcyclohexen-1-yl) N-isopropylcarbamothioate S-(3-benzylcyclohexen-1-yl) N-propan-2-ylcarbamothioate N-propan-2-ylcarbamothioic acid S-[[3-(phenylmethyl)-1-cyclohexenyl]] ester
Wiley ID 1523022