| SpectraBase Spectrum ID |
3BN2ByC0m1B |
| Name |
m-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/c1-21-17-4-2-3-16(8-17)18(20)22-12-19-9-13-5-14(10-19)7-15(6-13)11-19/h2-4,8,13-15H,5-7,9-12H2,1H3/t13-,14+,15-,19- |
| InChIKey |
XEOJDIHEPZRJIJ-CSVIQDERSA-N |
| SMILES |
C(OCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C1=CC=CC(OC)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934906 |
