| SpectraBase Spectrum ID |
4byPH0jz0RE |
| Name |
1-Adamantanol 4-tert-butylbenzoate |
| Alternate Name(s) |
(3s,5s,7s)-adamantan-1-yl 4-(tert-butyl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-20(2,3)18-6-4-17(5-7-18)19(22)23-21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16H,8-13H2,1-3H3/t14-,15+,16-,21- |
| InChIKey |
YXARTORFEBXMEN-OFIQSVQDSA-N |
| Literature Reference DOI |
10.1039/C4RA14586K |
| Molecular Weight |
312.453 g/mol |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(CC(C1)(C3)OC(=O)c1ccc(cc1)C(C)(C)C)[H])[H])[H] |
| SPLASH |
splash10-001i-2900000000-ce53e312aa4d4e9c56fe |
| Source of Spectrum |
RSA-5-7232/SM5-3i |
| Wiley ID |
1805504 |
