| SpectraBase Spectrum ID |
2xgteyuu46N |
| Name |
Benzenepropanoic acid, 2,5-dimethoxy-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.104858991 u |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-14-10-5-6-11(15-2)9(8-10)4-7-12(13)16-3/h5-6,8H,4,7H2,1-3H3 |
| InChIKey |
XREGTKPNEYVQRA-UHFFFAOYSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
C=1(C(=CC=C(C1)OC)OC)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976723 |
