| SpectraBase Spectrum ID |
EqkjNDPoNOE |
| Name |
Benzoic acid, 3-(3-methylbutyl)oxy-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-10(2)7-8-16-12-6-4-5-11(9-12)13(14)15-3/h4-6,9-10H,7-8H2,1-3H3 |
| InChIKey |
GXLSHJZZYXOSOF-UHFFFAOYSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
C1=C(C=CC=C1C(OC)=O)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922027 |
