| SpectraBase Spectrum ID |
IbxjvwbsQFs |
| Name |
(Z)-5-Methylhex-3-en-2-yl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-11(2)9-10-12(3)16-14(15)13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9- |
| InChIKey |
FBMBBUQCFVGCFV-KTKRTIGZSA-N |
| Molecular Weight |
218.296 g/mol |
| SMILES |
C(OC(\C=C/C(C)C)C)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931211 |
