| SpectraBase Spectrum ID |
CYl4Qlx9Dr3 |
| Name |
Hexanoic acid, 1-adamantylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.208930140 u |
| Formula |
C17H28O2 |
| InChI |
InChI=1S/C17H28O2/c1-2-3-4-5-16(18)19-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-12H2,1H3/t13-,14+,15-,17- |
| InChIKey |
ZJACWHNZJLLREX-LTBQPASTSA-N |
| Molecular Weight |
264.409 g/mol |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)CCCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8444 |
