| SpectraBase Spectrum ID |
Bba7Fi4um82 |
| Name |
Thiocyanic acid, (2-oxocycloheptylidene)methyl ester |
| CAS Registry Number |
63499-00-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H11NOS |
| InChI |
InChI=1S/C9H11NOS/c10-7-12-6-8-4-2-1-3-5-9(8)11/h6H,1-5H2/b8-6+ |
| InChIKey |
XSHYALRRCFHUJC-SOFGYWHQSA-N |
| Molecular Weight |
181.253 g/mol |
| SMILES |
C1(\C(CCCCC1)=C\SC#N)=O |
| SPLASH |
splash10-000t-7900000000-b3eba43546f4234dea01 |
| Source of Spectrum |
O-21-727-1 |
| Synonyms |
(E)-(2-oxocycloheptylidene)methyl thiocyanate
2-Thiocyanatomethylencycloheptan-1-one |
| Wiley ID |
1177328 |
