| SpectraBase Compound ID | 4squAYA2JaJ |
|---|---|
| InChI | InChI=1S/C18H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,12-13H,2-5,8,11,14-18H2,1H3/b7-6-,10-9-,13-12- |
| InChIKey | RCEKGPZZUIICRC-QNEBEIHSSA-N |
| Mol Weight | 327.35 g/mol |
| Molecular Formula | C18H31Br |
| Exact Mass | 326.160914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cn8VV1OegHp |
|---|---|
| Name | (Z,Z,Z)-1-Bromooctadeca-6,9,12-triene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.160913998 u |
| Formula | C18H31Br |
| InChI | InChI=1S/C18H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,12-13H,2-5,8,11,14-18H2,1H3/b7-6-,10-9-,13-12- |
| InChIKey | RCEKGPZZUIICRC-QNEBEIHSSA-N |
| Molecular Weight | 327.350 g/mol |
| SMILES | C(\C=C/C\C=C/C\C=C/CCCCC)CCCCBr |