| SpectraBase Compound ID | DDKb3KmtovA |
|---|---|
| InChI | InChI=1S/C35H56/c1-10-30(4)18-12-20-32(6)22-14-24-34(8)26-16-28-35(9)27-15-25-33(7)23-13-21-31(5)19-11-17-29(2)3/h10,17,20-21,24-25,28H,1,4,11-16,18-19,22-23,26-27H2,2-3,5-9H3/b31-21+,32-20+,33-25+,34-24+,35-28+ |
| InChIKey | YNWDINKHLIWBQT-YDTSVZKTSA-N |
| Mol Weight | 476.8 g/mol |
| Molecular Formula | C35H56 |
| Exact Mass | 476.438202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUL3ehJfrVm |
|---|---|
| Name | beta-Heptaprene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 476.438201803 u |
| Formula | C35H56 |
| InChI | InChI=1S/C35H56/c1-10-30(4)18-12-20-32(6)22-14-24-34(8)26-16-28-35(9)27-15-25-33(7)23-13-21-31(5)19-11-17-29(2)3/h10,17,20-21,24-25,28H,1,4,11-16,18-19,22-23,26-27H2,2-3,5-9H3/b31-21+,32-20+,33-25+,34-24+,35-28+ |
| InChIKey | YNWDINKHLIWBQT-YDTSVZKTSA-N |
| Molecular Weight | 476.833 g/mol |
| SMILES | CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CC\C(=C\CC\C(=C\CCC(C=C)=C)C)C)C)C)C)C |