| SpectraBase Compound ID | L8o8oGLk9cC |
|---|---|
| InChI | InChI=1S/C12H10BrNO4/c13-5-6-17-12(16)14-9-7-8-3-1-2-4-10(8)18-11(9)15/h1-4,7H,5-6H2,(H,14,16) |
| InChIKey | DXRNLZNXYJJNAR-UHFFFAOYSA-N |
| Mol Weight | 312.12 g/mol |
| Molecular Formula | C12H10BrNO4 |
| Exact Mass | 310.979321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EpUSnwtGZF4 |
|---|---|
| Name | 2-Bromoethyl (coumarin-3-yl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.979320802 u |
| Formula | C12H10BrNO4 |
| InChI | InChI=1S/C12H10BrNO4/c13-5-6-17-12(16)14-9-7-8-3-1-2-4-10(8)18-11(9)15/h1-4,7H,5-6H2,(H,14,16) |
| InChIKey | DXRNLZNXYJJNAR-UHFFFAOYSA-N |
| Molecular Weight | 312.119 g/mol |
| SMILES | C1(OC2=C(C=C1NC(OCCBr)=O)C=CC=C2)=O |