| SpectraBase Spectrum ID |
Ig7k0p2JZBE |
| Name |
o-Anisic acid, 1-adamantylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.172544630 u |
| Formula |
C19H24O3 |
| InChI |
InChI=1S/C19H24O3/c1-21-17-5-3-2-4-16(17)18(20)22-12-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3/t13-,14+,15-,19- |
| InChIKey |
BRIWTOGEIIJQTB-CSVIQDERSA-N |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])COC(C=1C(OC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934464 |
