| SpectraBase Spectrum ID |
HT7FtdHqy0S |
| Name |
(3R)-3-(Benzyloxymethyl)-11-methyldodeca-1,6(Z)-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.245315649 u |
| Formula |
C21H32O |
| InChI |
InChI=1S/C21H32O/c1-4-20(14-10-7-5-6-9-13-19(2)3)17-22-18-21-15-11-8-12-16-21/h4-5,7-8,11-12,15-16,19-20H,1,6,9-10,13-14,17-18H2,2-3H3/b7-5-/t20-/m0/s1 |
| InChIKey |
OYGQJVUIQGJZKB-BPJPHKDRSA-N |
| SMILES |
C(=C)[C@](COCC=1C=CC=CC1)(CC\C=C/CCCC(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91698 |
