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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 JGo1eeRDzcG
Name Cyclohexyl isothiocyanate
CAS Registry Number 1122-82-3
Classification Vulcanization accelerator
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 141.061220532 u
Formula C7H11NS
InChI InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey MZSJGCPBOVTKHR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 141.232 g/mol
Nominal Mass 141 u
Quality 999
Retention Index 1041
SMILES C1(CCCCC1)N=C=S
SPLASH splash10-0536-9200000000-f3a0bd1ddccfbea85d3d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Isothiocyanatocyclohexane
Technique GC/MS
Wiley ID DD2024_033714