| SpectraBase Compound ID | KNbtj3a7sGM |
|---|---|
| InChI | InChI=1S/C18H22BrNO3/c1-21-15-6-4-13(5-7-15)12-20-9-8-14-10-18(23-3)16(19)11-17(14)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 |
| InChIKey | FSHVGXBAVZIZCK-UHFFFAOYSA-N |
| Mol Weight | 380.28 g/mol |
| Molecular Formula | C18H22BrNO3 |
| Exact Mass | 379.078307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2SdQZC5w57 |
|---|---|
| Name | 25B-Nb4Ome |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.078306569 u |
| Formula | C18H22BrNO3 |
| InChI | InChI=1S/C18H22BrNO3/c1-21-15-6-4-13(5-7-15)12-20-9-8-14-10-18(23-3)16(19)11-17(14)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 |
| InChIKey | FSHVGXBAVZIZCK-UHFFFAOYSA-N |
| Molecular Weight | 380.282 g/mol |
| SMILES | N(CCC1=CC(=C(C=C1OC)Br)OC)CC=1C=CC(=CC1)OC |