| SpectraBase Spectrum ID |
LULtKHJJ4yH |
| Name |
3,4,5-Trimethoxybenzoic acid, ester with 4'-chloro-2-hydroxyacetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.071365961 u |
| Formula |
C18H17ClO6 |
| InChI |
InChI=1S/C18H17ClO6/c1-22-15-8-12(9-16(23-2)17(15)24-3)18(21)25-10-14(20)11-4-6-13(19)7-5-11/h4-9H,10H2,1-3H3 |
| InChIKey |
KFXOCCBIXOGZDC-UHFFFAOYSA-N |
| Molecular Weight |
364.781 g/mol |
| SMILES |
C=1C(=CC(=C(C1OC)OC)OC)C(OCC(C=1C=CC(=CC1)Cl)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.892102 |
