| SpectraBase Spectrum ID |
EIEJc98ULXU |
| Name |
Cyclohexanecarboxylic acid, 1-methyl-, 1-adamantylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.224580204 u |
| Formula |
C19H30O2 |
| InChI |
InChI=1S/C19H30O2/c1-19(5-3-2-4-6-19)18(20)21-12-17-15-8-13-7-14(10-15)11-16(17)9-13/h13-17H,2-12H2,1H3/t13-,14+,15-,16+,17? |
| InChIKey |
PHVXHDUXTPERBM-SJJOOFSGSA-N |
| SMILES |
C1C(CCCC1)(C)C(OCC1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851698 |
