| SpectraBase Spectrum ID |
5GGYo7WnJUp |
| Name |
p-Anisic acid, 2-(1-adamantyl)ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.188194694 u |
| Formula |
C20H26O3 |
| InChI |
InChI=1S/C20H26O3/c1-22-18-4-2-17(3-5-18)19(21)23-7-6-20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3/t14-,15+,16-,20+ |
| InChIKey |
JAFLFMWECJFYQX-DHCNJJTISA-N |
| SMILES |
C(OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824873 |
