| SpectraBase Spectrum ID |
iv8sbZOdkO |
| Name |
(1R*,3S*,4R*,7S*,8S*,12S*,13S*)-7-Isocyanoamphilecta-10,14-diene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31N |
| InChI |
InChI=1S/C21H31N/c1-13(2)11-16-12-15(4)17-9-10-21(5,22-6)18-8-7-14(3)19(16)20(17)18/h7,11,15-20H,8-10,12H2,1-5H3/t15-,16-,17+,18-,19-,20+,21-/m0/s1 |
| InChIKey |
JMZUVWGIUGYJJE-QQKCOMIHSA-N |
| Instrument Name |
Thermo Quest TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030458p |
| Molecular Weight |
297.486 g/mol |
| Optical Rotation |
[a]D24 = -19.1 (c = 1.52, CHCl3) |
| Reported Formula |
C21H31N |
| SMILES |
[C@@]1([C@]2([C@]3([C@@]([C@]([N+]#[C-])(C)CC[C@@]3([C@@](C)(C1)[H])[H])(CC=C2C)[H])[H])[H])(C=C(C)C)[H] |
| SPLASH |
splash10-052b-0290000000-536da251f2cbc89218d0 |
| Source of Spectrum |
G4-67-836-3 |
| Wiley ID |
1881781 |
