| SpectraBase Spectrum ID |
IugooZuRALj |
| Name |
1,3-Benzenediol, o,o'-di(ethoxycarbonyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.079038165 u |
| Formula |
C12H14O6 |
| InChI |
InChI=1S/C12H14O6/c1-3-15-11(13)17-9-6-5-7-10(8-9)18-12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey |
OFJWOPDBZNXHBV-UHFFFAOYSA-N |
| Molecular Weight |
254.238 g/mol |
| SMILES |
C1=C(C=CC=C1OC(=O)OCC)OC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95814 |
