| SpectraBase Spectrum ID |
JXhNO95DIUU |
| Name |
Thiocyanic acid, (5,7,8,9-tetrahydro-5-oxo-6H-benzocyclohepten-6-ylidene)methyl ester |
| Alternate Name(s) |
(E)-(5-oxo-5,7,8,9-tetrahydro-6H-benzo[a]cyclohepten-6-ylidene)methyl thiocyanate
2-Thiocyanatomethylen-6,7-benzocycloheptane-1-one |
| CAS Registry Number |
63499-05-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H11NOS |
| InChI |
InChI=1S/C13H11NOS/c14-9-16-8-11-6-3-5-10-4-1-2-7-12(10)13(11)15/h1-2,4,7-8H,3,5-6H2/b11-8+ |
| InChIKey |
XTVJFRARUZAQAO-DHZHZOJOSA-N |
| Molecular Weight |
229.297 g/mol |
| SMILES |
C1(\C(=C\SC#N)CCCc2c1cccc2)=O |
| SPLASH |
splash10-00di-0690000000-3af4398b55b5a25f4336 |
| Source of Spectrum |
O-21-727-6 |
| Wiley ID |
1230738 |
