| SpectraBase Compound ID | 43yoAASNgDA |
|---|---|
| InChI | InChI=1S/C9H9NO5/c1-13-4-6-2-8-9(15-5-14-8)3-7(6)10(11)12/h2-3H,4-5H2,1H3 |
| InChIKey | DYGCPKYNSZBOBC-UHFFFAOYSA-N |
| Mol Weight | 211.17 g/mol |
| Molecular Formula | C9H9NO5 |
| Exact Mass | 211.048072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HWB0HL2Sg8d |
|---|---|
| Name | 5-(Methoxymethyl)-6-nitro-1,3-benzodioxole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.048072389 u |
| Formula | C9H9NO5 |
| InChI | InChI=1S/C9H9NO5/c1-13-4-6-2-8-9(15-5-14-8)3-7(6)10(11)12/h2-3H,4-5H2,1H3 |
| InChIKey | DYGCPKYNSZBOBC-UHFFFAOYSA-N |
| Molecular Weight | 211.173 g/mol |
| SMILES | C1(N(=O)=O)=CC=2OCOC2C=C1COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935012 |