| SpectraBase Compound ID | 6dx6GNeusym |
|---|---|
| InChI | InChI=1S/C12H13NO3/c1-2-3-8-16-12(15)10-4-6-11(7-5-10)13-9-14/h4-7H,2-3,8H2,1H3 |
| InChIKey | PVCGQSQNUXNTNA-UHFFFAOYSA-N |
| Mol Weight | 219.24 g/mol |
| Molecular Formula | C12H13NO3 |
| Exact Mass | 219.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTasMwy5t2d |
|---|---|
| Name | 4-(N-Butoxycarbonyl)phenyl isocyanate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.089543280 u |
| Formula | C12H13NO3 |
| InChI | InChI=1S/C12H13NO3/c1-2-3-8-16-12(15)10-4-6-11(7-5-10)13-9-14/h4-7H,2-3,8H2,1H3 |
| InChIKey | PVCGQSQNUXNTNA-UHFFFAOYSA-N |
| Molecular Weight | 219.240 g/mol |
| SMILES | C1=CC(=CC=C1N=C=O)C(OCCCC)=O |