| SpectraBase Spectrum ID |
H8I14laaXfH |
| Name |
m-Toluic 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 |
298.193280075 u |
| Formula |
C20H26O2 |
| InChI |
InChI=1S/C20H26O2/c1-14-3-2-4-18(7-14)19(21)22-6-5-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-4,7,15-17H,5-6,8-13H2,1H3/t15-,16+,17-,20+ |
| InChIKey |
QXDLZKOHACFPPP-FRIOTGHOSA-N |
| SMILES |
C(OCCC12C[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) |
0.943629 |
