| SpectraBase Spectrum ID |
DAnnKu1SgFr |
| Name |
1,3-Benzenediol, o-ethoxycarbonyl-o'-methoxycarbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.063388100 u |
| Formula |
C11H12O6 |
| InChI |
InChI=1S/C11H12O6/c1-3-15-11(13)17-9-6-4-5-8(7-9)16-10(12)14-2/h4-7H,3H2,1-2H3 |
| InChIKey |
PXONMDNYYIJOCK-UHFFFAOYSA-N |
| Molecular Weight |
240.211 g/mol |
| SMILES |
C1=C(C=CC=C1OC(=O)OC)OC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914008 |
