| SpectraBase Spectrum ID |
IONRkijEXgZ |
| Name |
Thiocyanic acid, 1-(iodomethylene)pentyl ester, (E)- |
| Alternate Name(s) |
(E)-1-butyl-2-iodoethenyl thiocyanate
(E)-1-Butyl-2-iodovinyl-thiocyanate |
| CAS Registry Number |
112701-58-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H10INS |
| InChI |
InChI=1S/C7H10INS/c1-2-3-4-7(5-8)10-6-9/h5H,2-4H2,1H3/b7-5+ |
| InChIKey |
XJLIXYAKQNNLEZ-FNORWQNLSA-N |
| Molecular Weight |
267.128 g/mol |
| SMILES |
C(#N)S\C(=C\I)CCCC |
| SPLASH |
splash10-0002-9000000000-612eec3c2070bc59ea39 |
| Source of Spectrum |
KC-1987-1019-2 |
| Wiley ID |
1270847 |
