| SpectraBase Spectrum ID |
5smnIORS4yR |
| Name |
(1S,5S,7S)-2-(2-Methyl-allyl)-3-phenyl-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.162314299 u |
| Formula |
C18H21NO |
| InChI |
InChI=1S/C18H21NO/c1-13(2)10-17-18-9-8-16(20-18)11-14(18)12-19(17)15-6-4-3-5-7-15/h3-9,14,16-17H,1,10-12H2,2H3/t14-,16+,17?,18-/m0/s1 |
| InChIKey |
RVULRSXWPXVLGP-POWMVRMFSA-N |
| Molecular Weight |
267.372 g/mol |
| SMILES |
[C@@]123C(N(C=4C=CC=CC4)C[C@@]1(C[C@](O2)(C=C3)[H])[H])CC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826737 |
![(1S,5S,7S)-2-(2-Methyl-allyl)-3-phenyl-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene](/api/spectrum/5smnIORS4yR/structure.png?h=300&w=458 "(1S,5S,7S)-2-(2-Methyl-allyl)-3-phenyl-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene")
