| SpectraBase Spectrum ID |
99tOw1vyynL |
| Name |
Benzeneacetic acid, 2-(2-ethoxy-2-oxoethoxy)-4,5-dimethoxy-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.136553041 u |
| Formula |
C16H22O7 |
| InChI |
InChI=1S/C16H22O7/c1-5-21-15(17)8-11-7-13(19-3)14(20-4)9-12(11)23-10-16(18)22-6-2/h7,9H,5-6,8,10H2,1-4H3 |
| InChIKey |
LHZYUKRFGZTLQQ-UHFFFAOYSA-N |
| Molecular Weight |
326.345 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)OC)OCC(=O)OCC)CC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889279 |
