| SpectraBase Compound ID | 6DBiwJ7TQ1j |
|---|---|
| InChI | InChI=1S/C9H10N2O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2 |
| InChIKey | DEIUMGGCQWPHNC-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C9H10N2O2 |
| Exact Mass | 178.074228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J2Rusw6ST8o |
|---|---|
| Name | Isoquinoline 1,2,3,4-tetrahydro-2-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.074227568 u |
| Formula | C9H10N2O2 |
| InChI | InChI=1S/C9H10N2O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2 |
| InChIKey | DEIUMGGCQWPHNC-UHFFFAOYSA-N |
| Molecular Weight | 178.191 g/mol |
| SMILES | C12=C(CN(CC2)N(=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938066 |