| SpectraBase Compound ID | KTrvmKhZW6I |
|---|---|
| InChI | InChI=1S/C16H10BrNO3/c17-11-5-3-6-12(9-11)18-15(19)13-8-10-4-1-2-7-14(10)21-16(13)20/h1-9H,(H,18,19) |
| InChIKey | WLJWSBVHUKWRGZ-UHFFFAOYSA-N |
| Mol Weight | 344.16 g/mol |
| Molecular Formula | C16H10BrNO3 |
| Exact Mass | 342.984406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDOniTwB8m1 |
|---|---|
| Name | Coumarin-3-carboxamide, N-(3-bromophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.984406183 u |
| Formula | C16H10BrNO3 |
| InChI | InChI=1S/C16H10BrNO3/c17-11-5-3-6-12(9-11)18-15(19)13-8-10-4-1-2-7-14(10)21-16(13)20/h1-9H,(H,18,19) |
| InChIKey | WLJWSBVHUKWRGZ-UHFFFAOYSA-N |
| Molecular Weight | 344.164 g/mol |
| SMILES | C=1(C(OC=2C(C1)=CC=CC2)=O)C(NC=1C=CC=C(C1)Br)=O |