| SpectraBase Spectrum ID |
8iexbUoDYUN |
| Name |
1-Adamantanecarboxylic acid, 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.240230268 u |
| Formula |
C19H32O2 |
| InChI |
InChI=1S/C19H32O2/c1-3-5-6-14(4-2)13-21-18(20)19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,3-13H2,1-2H3/t14?,15-,16+,17-,19- |
| InChIKey |
FJWMMQXTKZMSHR-ATADIKNHSA-N |
| SMILES |
C(COC(C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H])=O)(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944898 |
