| SpectraBase Spectrum ID |
EOQPBBRoCF |
| Name |
Benzyl (S,E)-2-methyldec-3-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.193280075 u |
| Formula |
C18H26O2 |
| InChI |
InChI=1S/C18H26O2/c1-3-4-5-6-7-9-12-16(2)18(19)20-15-17-13-10-8-11-14-17/h8-14,16H,3-7,15H2,1-2H3/b12-9+/t16-/m0/s1 |
| InChIKey |
QNUCXMZUEVWZCQ-YHVDPYDOSA-N |
| Molecular Weight |
274.404 g/mol |
| SMILES |
C([C@](\C=C\CCCCCC)(C)[H])(=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938144 |
