| SpectraBase Compound ID | LcwIbyTHDAJ |
|---|---|
| InChI | InChI=1S/C10H11NO3/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H2,11,12) |
| InChIKey | VLKGYFSQZMKYOT-UHFFFAOYSA-N |
| Mol Weight | 193.2 g/mol |
| Molecular Formula | C10H11NO3 |
| Exact Mass | 193.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LnShm2EUVGv |
|---|---|
| Name | Ethyl 4-carbamoylbenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.073893215 u |
| Formula | C10H11NO3 |
| InChI | InChI=1S/C10H11NO3/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H2,11,12) |
| InChIKey | VLKGYFSQZMKYOT-UHFFFAOYSA-N |
| Molecular Weight | 193.202 g/mol |
| SMILES | C(C=1C=CC(=CC1)C(N)=O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846192 |