| SpectraBase Spectrum ID |
Hmkmn50yp5F |
| Name |
Benzoic acid, 3-(2-methoxyethyl)heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-3-4-8-15(11-13-19-2)12-14-20-17(18)16-9-6-5-7-10-16/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3 |
| InChIKey |
DQZUKUSMWHVXAM-UHFFFAOYSA-N |
| Molecular Weight |
278.392 g/mol |
| SMILES |
COCCC(CCCC)CCOC(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860315 |
