| SpectraBase Spectrum ID |
KzH1eC9vRDA |
| Name |
(1,7,7-Trimethylnorbornan-2-yl) benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.161979946 u |
| Formula |
C17H22O2 |
| InChI |
InChI=1S/C17H22O2/c1-16(2)13-9-10-17(16,3)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14?,17+/m0/s1 |
| InChIKey |
FLOISDYCXINJOB-BHVXPOTESA-N |
| Molecular Weight |
258.361 g/mol |
| SMILES |
[C@@]12(C([C@@](CC2)(CC1OC(=O)C=1C=CC=CC1)[H])(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923544 |
