| SpectraBase Spectrum ID |
9cq1xun0aYZ |
| Name |
Thiocyanic acid, 1-ethyl-2-iodo-1-butenyl ester, (E)- |
| Alternate Name(s) |
(1E)-1-ethyl-2-iodo-1-butenyl thiocyanate
(E)-1-Ethyl-2-iodobut-1-enylthiocyanate |
| CAS Registry Number |
112701-57-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H10INS |
| InChI |
InChI=1S/C7H10INS/c1-3-6(8)7(4-2)10-5-9/h3-4H2,1-2H3/b7-6+ |
| InChIKey |
UAGWWIGSNQOHPN-VOTSOKGWSA-N |
| Molecular Weight |
267.128 g/mol |
| SMILES |
C(#N)S\C(=C/(I)CC)CC |
| SPLASH |
splash10-00or-9060000000-a19cce2fdf3e32ca4505 |
| Source of Spectrum |
KC-1987-1019-2 |
| Wiley ID |
1270846 |
