| SpectraBase Compound ID | ExnTLkXqvCQ |
|---|---|
| InChI | InChI=1S/C15H16BrNO2/c1-3-17-9(2)8-12-10-4-6-19-15(10)13(16)11-5-7-18-14(11)12/h4-7,9,17H,3,8H2,1-2H3 |
| InChIKey | FNBXQEMULKLBSB-UHFFFAOYSA-N |
| Mol Weight | 322.2 g/mol |
| Molecular Formula | C15H16BrNO2 |
| Exact Mass | 321.036442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zxOMill5PT |
|---|---|
| Name | 3C-Bromo-dragonfly et |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.036441757 u |
| Formula | C15H16BrNO2 |
| InChI | InChI=1S/C15H16BrNO2/c1-3-17-9(2)8-12-10-4-6-19-15(10)13(16)11-5-7-18-14(11)12/h4-7,9,17H,3,8H2,1-2H3 |
| InChIKey | FNBXQEMULKLBSB-UHFFFAOYSA-N |
| Molecular Weight | 322.202 g/mol |
| SMILES | C1(=C2C(=C(C3=C1OC=C3)Br)OC=C2)CC(NCC)C |