| SpectraBase Spectrum ID |
4ryz3x3k1RU |
| Name |
3-(3,4,5-Trimethoxyphenyl)glutaric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.105252913 u |
| Formula |
C14H18O7 |
| InChI |
InChI=1S/C14H18O7/c1-19-10-4-8(5-11(20-2)14(10)21-3)9(6-12(15)16)7-13(17)18/h4-5,9H,6-7H2,1-3H3,(H,15,16)(H,17,18) |
| InChIKey |
XLJDNPGZFKBWJE-UHFFFAOYSA-N |
| Molecular Weight |
298.291 g/mol |
| SMILES |
OC(CC(CC(O)=O)C1=CC(=C(C(=C1)OC)OC)OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.946171 |
