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Cyclohexyl isothiocyanate

View entire compound with spectra: 7 NMR, 4 FTIR, 1 Raman, 6 MS (GC), and 2 Near IR

Cyclohexyl isothiocyanate
SpectraBase Compound ID JMd1lhjcw6u
InChI InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey MZSJGCPBOVTKHR-UHFFFAOYSA-N
Mol Weight 141.23 g/mol
Molecular Formula C7H11NS
Exact Mass 141.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jnCENRK4Px
Name Cyclohexane, isothiocyanato-
CAS Registry Number 1122-82-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NS
InChI InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey MZSJGCPBOVTKHR-UHFFFAOYSA-N
Molecular Weight 141.232 g/mol
SMILES C1(N=C=S)CCCCC1
SPLASH splash10-0a5c-9000000000-0b0764698639af5bb4fc
Source of Spectrum W5-1989-25300-1
Synonyms Cyclohexyl isothiocyanate Cyclohexyl isothiocyanate, isothiocyanato- Cyclohexyl-isothiocyanat Isothiocyanatocyclohexane Isothiocyanic acid, cyclohexyl ester Isothiocyanocyclohexane EINECS 214-361-9 NSC 60129
Wiley ID 1140293