| SpectraBase Spectrum ID |
IDFpeIXtWV6 |
| Name |
Benzoic acid, 3-(1-methylpropyl)oxy-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-4-9(2)15-11-7-5-6-10(8-11)12(13)14-3/h5-9H,4H2,1-3H3 |
| InChIKey |
YASTXHCEROOPQW-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C1=C(C=CC=C1C(OC)=O)OC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89922 |
