| SpectraBase Compound ID | 1dtkgY3wV1A |
|---|---|
| InChI | InChI=1S/C13H15N3O5/c1-3-7-14-12(17)10-8-9(16(19)20)5-6-11(10)15-13(18)21-4-2/h3,5-6,8H,1,4,7H2,2H3,(H,14,17)(H,15,18) |
| InChIKey | JJADKUJDPIROOQ-UHFFFAOYSA-N |
| Mol Weight | 293.28 g/mol |
| Molecular Formula | C13H15N3O5 |
| Exact Mass | 293.101171 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GHsgUz4heTf |
|---|---|
| Name | Benzamide, N-allyl-2-carbethoxyamino-5-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.101170590 u |
| Formula | C13H15N3O5 |
| InChI | InChI=1S/C13H15N3O5/c1-3-7-14-12(17)10-8-9(16(19)20)5-6-11(10)15-13(18)21-4-2/h3,5-6,8H,1,4,7H2,2H3,(H,14,17)(H,15,18) |
| InChIKey | JJADKUJDPIROOQ-UHFFFAOYSA-N |
| Molecular Weight | 293.279 g/mol |
| SMILES | CCOC(=O)NC=1C(C(=O)NCC=C)=CC(N(=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852535 |