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Butyl-1,2-bis(isothiocyanate)

View entire compound with spectra: 1 MS (GC)

Butyl-1,2-bis(isothiocyanate)
SpectraBase Compound ID 4xpmrTiAdKX
InChI InChI=1S/C18H16N2S2/c21-13-19-17-11-5-3-9-15(17)7-1-2-8-16-10-4-6-12-18(16)20-14-22/h3-6,9-12H,1-2,7-8H2
InChIKey LSMXFSFKLBCLQF-UHFFFAOYSA-N
Mol Weight 324.46 g/mol
Molecular Formula C18H16N2S2
Exact Mass 324.075491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kEtoy6y78I
Name Butyl-1,2-bis(isothiocyanate)
Alternate Name(s) Butyl-1,2-bis(o-isothiocyanate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2S2
InChI InChI=1S/C18H16N2S2/c21-13-19-17-11-5-3-9-15(17)7-1-2-8-16-10-4-6-12-18(16)20-14-22/h3-6,9-12H,1-2,7-8H2
InChIKey LSMXFSFKLBCLQF-UHFFFAOYSA-N
Molecular Weight 324.460 g/mol
SMILES c1(N=C=S)c(CCCCc2c(N=C=S)cccc2)cccc1
SPLASH splash10-01vk-0904000000-22b77b5be99125434bd6
Source of Spectrum J-59-7314-25
Wiley ID 1323182