| SpectraBase Compound ID | Evs2Vl141ZA |
|---|---|
| InChI | InChI=1S/C15H14BrNO3/c16-11-4-5-13-10(8-11)9-12(15(19)20-13)14(18)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2 |
| InChIKey | WATGKNZDELSSSG-UHFFFAOYSA-N |
| Mol Weight | 336.19 g/mol |
| Molecular Formula | C15H14BrNO3 |
| Exact Mass | 335.015706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IPSK1reRT1U |
|---|---|
| Name | 6-Bromo-3-(1-piperidinylcarbonyl)-2H-chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.015706312 u |
| Formula | C15H14BrNO3 |
| InChI | InChI=1S/C15H14BrNO3/c16-11-4-5-13-10(8-11)9-12(15(19)20-13)14(18)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2 |
| InChIKey | WATGKNZDELSSSG-UHFFFAOYSA-N |
| Molecular Weight | 336.185 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=C(C=C2)Br)=O)C(N1CCCCC1)=O |