| SpectraBase Spectrum ID |
5uEtU54tmDn |
| Name |
1-Isothiocyanato-3,5-dimethyladamantane |
| Alternate Name(s) |
Adamantane, 1-isothiocyanato-3,5-dimethyl- |
| CAS Registry Number |
136860-49-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H19NS |
| InChI |
InChI=1S/C13H19NS/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)14-9-15/h10H,3-8H2,1-2H3/t10-,11+,12-,13- |
| InChIKey |
GXBQJLFQKPPSHC-WNGYAQOMSA-N |
| Molecular Weight |
221.362 g/mol |
| SMILES |
[C@]12(C[C@]3(C[C@@](C2)(C[C@](C1)(C3)[H])C)C)N=C=S |
| SPLASH |
splash10-03di-3900000000-47ff191b1c147e567d6e |
| Source of Spectrum |
AD-0-2532-0 |
| Wiley ID |
1427464 |
