| SpectraBase Spectrum ID |
FBdLYsGAUNx |
| Name |
4-Ethylbenzoic acid, 2-adamantyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.177630011 u |
| Formula |
C19H24O2 |
| InChI |
InChI=1S/C19H24O2/c1-2-12-3-5-15(6-4-12)19(20)21-18-16-8-13-7-14(10-16)11-17(18)9-13/h3-6,13-14,16-18H,2,7-11H2,1H3/t13-,14+,16-,17+,18? |
| InChIKey |
ZIIYEEGFRAAVLV-SSAZZLEASA-N |
| SMILES |
C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])(=O)C1=CC=C(CC)C=C1 |
