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1-Isothiocyanato-5-(methylthio)pentane

View entire compound with spectra: 1 MS (GC)

1-Isothiocyanato-5-(methylthio)pentane
SpectraBase Compound ID IJR39ss51md
InChI InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3
InChIKey HBVIMVJTUQNSEP-UHFFFAOYSA-N
Mol Weight 175.31 g/mol
Molecular Formula C7H13NS2
Exact Mass 175.048942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PyyR24k77e
Name 1-Isothiocyanato-5-(methylthio)pentane
Alternate Name(s) 1-isothiocyanato-5-(methylsulfanyl)pentane 1-isothiocyanato-5-methylsulfanylpentane
CAS Registry Number 4430-42-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NS2
InChI InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3
InChIKey HBVIMVJTUQNSEP-UHFFFAOYSA-N
Molecular Weight 175.308 g/mol
SMILES C(N=C=S)CCCCSC
SPLASH splash10-03mi-9600000000-407b94a4e03b90c4c4c0
Source of Spectrum QC-6-1572-3
Wiley ID 868869