SpectraBase Spectrum ID |
GVTzoPQr9hw |
Name |
Hexane, 1-isothiocyanato- |
Alternate Name(s) |
1-Isothiocyanatohexane
1-Hexyl isothiocyanate
Hexyl isothiocyanate
Isothiocyanic acid, hexyl ester
n-Hexyl isothiocyanate
CCRIS 7549
EINECS 224-549-2 |
CAS Registry Number |
4404-45-9 |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C7H13NS |
InChI |
InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3 |
InChIKey |
WXYAXKKXIGHXDS-UHFFFAOYSA-N |
Molecular Weight |
143.248 g/mol |
SMILES |
C(CCCCC)N=C=S |
SPLASH |
splash10-014i-0900000000-d72dc62e37381f397add |
Source of Spectrum |
Y-45-1673-4v |
Wiley ID |
1737071 |