SpectraBase Compound ID | IeHZapzSaJ7 |
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InChI | InChI=1S/C10H10O6/c1-13-9(11)15-7-5-3-4-6-8(7)16-10(12)14-2/h3-6H,1-2H3 |
InChIKey | FNTJMMIAANKHNH-UHFFFAOYSA-N |
Mol Weight | 226.18 g/mol |
Molecular Formula | C10H10O6 |
Exact Mass | 226.047738 g/mol |
SpectraBase Spectrum ID | Heq46Xw5jjo |
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Name | 1,2-Benzenediol, o,o'-di(methoxycarbonyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 226.047738036 u |
Formula | C10H10O6 |
InChI | InChI=1S/C10H10O6/c1-13-9(11)15-7-5-3-4-6-8(7)16-10(12)14-2/h3-6H,1-2H3 |
InChIKey | FNTJMMIAANKHNH-UHFFFAOYSA-N |
Molecular Weight | 226.184 g/mol |
SMILES | COC(=O)OC=1C(=CC=CC1)OC(OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938576 |