| SpectraBase Compound ID | 2Nz8TVWVVL6 |
|---|---|
| InChI | InChI=1S/C7H10N2O5/c10-3-8-5(7(13)14)1-2-6(12)9-4-11/h3-5H,1-2H2,(H,8,10)(H,13,14)(H,9,11,12) |
| InChIKey | ZZPBHKBOEHMJGP-UHFFFAOYSA-N |
| Mol Weight | 202.17 g/mol |
| Molecular Formula | C7H10N2O5 |
| Exact Mass | 202.058971 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HK7NanMBJbt |
|---|---|
| Name | Formyl isoglutamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.058971425 u |
| Formula | C7H10N2O5 |
| InChI | InChI=1S/C7H10N2O5/c10-3-8-5(7(13)14)1-2-6(12)9-4-11/h3-5H,1-2H2,(H,8,10)(H,13,14)(H,9,11,12) |
| InChIKey | ZZPBHKBOEHMJGP-UHFFFAOYSA-N |
| Molecular Weight | 202.166 g/mol |
| SMILES | C(O)(C(NC=O)CCC(NC=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974196 |