| SpectraBase Spectrum ID |
aTrlAXzbCE |
| Name |
1-Isothiocyanato-3-methyladamantane |
| Alternate Name(s) |
Adamantane, 1-isothiocyanato-3-methyl- |
| CAS Registry Number |
136860-48-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17NS |
| InChI |
InChI=1S/C12H17NS/c1-11-3-9-2-10(4-11)6-12(5-9,7-11)13-8-14/h9-10H,2-7H2,1H3/t9-,10+,11-,12- |
| InChIKey |
ZJAYYILGFJOGCD-CDECOKDKSA-N |
| Molecular Weight |
207.335 g/mol |
| SMILES |
[C@]12(N=C=S)C[C@@]3(C)C[C@](C2)(C[C@](C1)(C3)[H])[H] |
| SPLASH |
splash10-0005-9800000000-6805041a479e7bfd2e31 |
| Source of Spectrum |
AD-0-2532-0 |
| Wiley ID |
1430421 |
