| SpectraBase Compound ID | 1u0ecHoiAKU |
|---|---|
| InChI | InChI=1S/C20H32/c1-14(2)18-12-10-17(5)19-11-9-15(3)7-6-8-16(4)13-20(18)19/h7,13,17-20H,1,6,8-12H2,2-5H3/b15-7+,16-13+/t17-,18-,19+,20-/m0/s1 |
| InChIKey | ANDATAQAGZTPOQ-XNMRWMHCSA-N |
| Mol Weight | 272.5 g/mol |
| Molecular Formula | C20H32 |
| Exact Mass | 272.250401 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GFCw9lxtHpC |
|---|---|
| Name | Benditerpe-2,6,15-Triene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32 |
| InChI | InChI=1S/C20H32/c1-14(2)18-12-10-17(5)19-11-9-15(3)7-6-8-16(4)13-20(18)19/h7,13,17-20H,1,6,8-12H2,2-5H3/b15-7+,16-13+/t17-,18-,19+,20-/m0/s1 |
| InChIKey | ANDATAQAGZTPOQ-XNMRWMHCSA-N |
| Instrument Name | Thermo Trace GC ultra-ISQ |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/anie.202102453 |
| Molecular Weight | 272.476 g/mol |
| SMILES | C1[C@]([C@]2([C@@]([C@](C1)(C)[H])(CC\C(=C\CC\C(=C\2)C)C)[H])[H])(C(=C)C)[H] |
| SPLASH | splash10-0a4l-7910000000-d5bc40490e3815cdd7bc |
| Source of Spectrum | ACI-60-14167-2 |
| Wiley ID | 1882479 |