| SpectraBase Spectrum ID |
KM7Y7CBYYFI |
| Name |
m-Toluic acid, 1-adamantylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.177630011 u |
| Formula |
C19H24O2 |
| InChI |
InChI=1S/C19H24O2/c1-13-3-2-4-17(5-13)18(20)21-12-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3/t14-,15+,16-,19- |
| InChIKey |
CWBMWEMUDGVFQF-HGYGSNGRSA-N |
| SMILES |
C(OCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C1=CC(C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950443 |
