| SpectraBase Spectrum ID |
26lIZOqFrUQ |
| Name |
1-Adamantanecarboxylic acid, 2-octyl 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/c1-3-4-5-6-7-14(2)21-18(20)19-11-15-8-16(12-19)10-17(9-15)13-19/h14-17H,3-13H2,1-2H3/t14?,15-,16+,17-,19- |
| InChIKey |
QHMFSQYXYPCVCV-ATADIKNHSA-N |
| SMILES |
C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(OC(C)CCCCCC)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960506 |
