| SpectraBase Spectrum ID |
8vQdEVdGnAs |
| Name |
4-(Adamantan-1-ylthio)benzonitrile |
| Alternate Name(s) |
4-(((1s,3s)-adamantan-1-yl)thio)benzonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H19NS |
| InChI |
InChI=1S/C17H19NS/c18-11-12-1-3-16(4-2-12)19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15H,5-10H2/t13-,14+,15-,17- |
| InChIKey |
IAKXLLIOIDZUIQ-LTBQPASTSA-N |
| Literature Reference DOI |
10.1021/acs.orglett.6b00208 |
| Molecular Weight |
269.406 g/mol |
| SMILES |
C(c1ccc(cc1)SC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])#N |
| SPLASH |
splash10-000i-3900000000-98c4e0a7234b2af4e037 |
| Source of Spectrum |
A1-18-876/SM18-3j |
| Wiley ID |
1805251 |
