| SpectraBase Compound ID | IRrPCCXhQDe |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12) |
| InChIKey | QDZXCXBFZLLQFT-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BvnEzTSUCCw |
|---|---|
| Name | N-Propyl-N-phenyl-carbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12) |
| InChIKey | QDZXCXBFZLLQFT-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C1(NC(=O)OCCC)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.945346 |