![1-[(E)-7-bromanyl-4-methyl-hept-3-enyl]-3,5-dimethoxy-benzene](/api/spectrum/JVcNHmUeMn3/structure.png?h=300&w=458 "1-[(E)-7-bromanyl-4-methyl-hept-3-enyl]-3,5-dimethoxy-benzene")
| SpectraBase Compound ID | IIpxbEPmISj |
|---|---|
| InChI | InChI=1S/C16H23BrO2/c1-13(7-5-9-17)6-4-8-14-10-15(18-2)12-16(11-14)19-3/h6,10-12H,4-5,7-9H2,1-3H3/b13-6+ |
| InChIKey | CWZYJIXVCXGOIY-AWNIVKPZSA-N |
| Mol Weight | 327.26 g/mol |
| Molecular Formula | C16H23BrO2 |
| Exact Mass | 326.088143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVcNHmUeMn3 |
|---|---|
| Name | 1-[(E)-7-Bromanyl-4-methyl-hept-3-enyl]-3,5-dimethoxy-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.088142979 u |
| Formula | C16H23BrO2 |
| InChI | InChI=1S/C16H23BrO2/c1-13(7-5-9-17)6-4-8-14-10-15(18-2)12-16(11-14)19-3/h6,10-12H,4-5,7-9H2,1-3H3/b13-6+ |
| InChIKey | CWZYJIXVCXGOIY-AWNIVKPZSA-N |
| Molecular Weight | 327.262 g/mol |
| SMILES | C=1C(=CC(=CC1OC)CC\C=C\(CCCBr)C)OC |