| SpectraBase Compound ID | 8nvGGuRvvQu |
|---|---|
| InChI | InChI=1S/C13H13NO4/c1-8(2)17-13(16)14-10-7-9-5-3-4-6-11(9)18-12(10)15/h3-8H,1-2H3,(H,14,16) |
| InChIKey | BDMJDPCZOKJISW-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C13H13NO4 |
| Exact Mass | 247.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9jn8qbOlojF |
|---|---|
| Name | Isopropyl (coumarin-3-yl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.084457899 u |
| Formula | C13H13NO4 |
| InChI | InChI=1S/C13H13NO4/c1-8(2)17-13(16)14-10-7-9-5-3-4-6-11(9)18-12(10)15/h3-8H,1-2H3,(H,14,16) |
| InChIKey | BDMJDPCZOKJISW-UHFFFAOYSA-N |
| Molecular Weight | 247.250 g/mol |
| SMILES | C1(OC2=C(C=C1NC(OC(C)C)=O)C=CC=C2)=O |