| SpectraBase Spectrum ID |
BMFV9yIjHR |
| Name |
(+)-(1R,2S,3S,4S,5S,6R,7S)-exo-3-(oct-2-ynyl)-exo-4,5-epoxy-endo-tricyclo[5.2.1.0(2,6)]dec-8-en-endo-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.177630011 u |
| Formula |
C18H24O2 |
| InChI |
InChI=1S/C18H24O2/c1-2-3-4-5-6-7-10-18(19)15-13-9-8-12(11-13)14(15)16-17(18)20-16/h8-9,12-17,19H,2-5,10-11H2,1H3/t12-,13+,14-,15+,16+,17+,18+/m1/s1 |
| InChIKey |
PTTBJQKEEGTJCS-WSKJNLASSA-N |
| SMILES |
[C@]12([C@@]([C@@]3([C@@]4(C=C[C@]([C@@]3([C@]2(CC#CCCCCC)O)[H])(C4)[H])[H])[H])([H])O1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848916 |
![(+)-(1R,2S,3S,4S,5S,6R,7S)-exo-3-(oct-2-ynyl)-exo-4,5-epoxy-endo-tricyclo[5.2.1.0(2,6)]dec-8-en-endo-3-ol](/api/spectrum/BMFV9yIjHR/structure.png?h=300&w=458 "(+)-(1R,2S,3S,4S,5S,6R,7S)-exo-3-(oct-2-ynyl)-exo-4,5-epoxy-endo-tricyclo[5.2.1.0(2,6)]dec-8-en-endo-3-ol")
