| SpectraBase Spectrum ID |
JccpAjfWHOR |
| Name |
(Z)-3-Benzyl-1-methoxy-5-methylundec-4-en-6-yn-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.208930140 u |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-4-5-6-8-11-17(2)14-19(20(21)16-22-3)15-18-12-9-7-10-13-18/h7,9-10,12-14,19-21H,4-6,15-16H2,1-3H3/b17-14- |
| InChIKey |
LHZKMFZDIPDCQM-VKAVYKQESA-N |
| SMILES |
C(\C(C)=C/C(C(O)COC)CC1=CC=CC=C1)#CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925802 |
