| SpectraBase Spectrum ID |
FCWHIYzUTf5 |
| Name |
Thiocyanic acid, 1-butyl-1,2-ethenediyl ester, (E)- |
| Alternate Name(s) |
(E)-1,2-Dithiocyanatohex-1-ene
(E)-1-butyl-2-(cyanosulfanyl)ethenyl thiocyanate |
| CAS Registry Number |
76014-44-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H10N2S2 |
| InChI |
InChI=1S/C8H10N2S2/c1-2-3-4-8(12-7-10)5-11-6-9/h5H,2-4H2,1H3/b8-5+ |
| InChIKey |
WVRWKWCXCMSHRV-VMPITWQZSA-N |
| Molecular Weight |
198.302 g/mol |
| SMILES |
C(#N)S\C(=C\SC#N)CCCC |
| SPLASH |
splash10-0002-9200000000-57225e40284458886fa4 |
| Source of Spectrum |
KC-1987-1019-3 |
| Wiley ID |
1194954 |
