| SpectraBase Compound ID | 39OVUbXpdZk |
|---|---|
| InChI | InChI=1S/C17H23BrO2/c1-3-5-6-14(4-2)13-20-17(19)12-9-15-7-10-16(18)11-8-15/h7-12,14H,3-6,13H2,1-2H3/b12-9+ |
| InChIKey | XHHLNDYBYPXBCT-FMIVXFBMSA-N |
| Mol Weight | 339.27 g/mol |
| Molecular Formula | C17H23BrO2 |
| Exact Mass | 338.088143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | attO27PrFW |
|---|---|
| Name | 2'-Ethylhexyl 4-bromocinnamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.088142979 u |
| Formula | C17H23BrO2 |
| InChI | InChI=1S/C17H23BrO2/c1-3-5-6-14(4-2)13-20-17(19)12-9-15-7-10-16(18)11-8-15/h7-12,14H,3-6,13H2,1-2H3/b12-9+ |
| InChIKey | XHHLNDYBYPXBCT-FMIVXFBMSA-N |
| Molecular Weight | 339.273 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)Br)(=O)OCC(CC)CCCC |