| SpectraBase Compound ID | x6ezD0RJt9 |
|---|---|
| InChI | InChI=1S/C10H10N2O4/c1-2-7-11-10(13)16-9-5-3-8(4-6-9)12(14)15/h2-7H,1H3,(H,11,13)/b7-2+ |
| InChIKey | LNODAWRGNQMYTI-FARCUNLSSA-N |
| Mol Weight | 222.2 g/mol |
| Molecular Formula | C10H10N2O4 |
| Exact Mass | 222.064057 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Gq5ebrQZwN |
|---|---|
| Name | Carbamic acid, 1-propenyl-, 4-nitrophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.064056806 u |
| Formula | C10H10N2O4 |
| InChI | InChI=1S/C10H10N2O4/c1-2-7-11-10(13)16-9-5-3-8(4-6-9)12(14)15/h2-7H,1H3,(H,11,13)/b7-2+ |
| InChIKey | LNODAWRGNQMYTI-FARCUNLSSA-N |
| SMILES | N(C(OC1=CC=C(C=C1)[N+]([O-])=O)=O)\C=C\C |
| Spectrum/Structure Validation Score (Raman) | 0.895718 |