| SpectraBase Spectrum ID |
DvKHEN3EsqG |
| Name |
(-)-(1S,2R,5R,6S,7R)-2-benzyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.130679818 u |
| Formula |
C17H18O2 |
| InChI |
InChI=1S/C17H18O2/c1-11-15-13-7-8-14(9-13)17(15,16(18)19-11)10-12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/t11-,13+,14-,15+,17-/m1/s1 |
| InChIKey |
RVVNKRWADBUKQH-MOVJQLJTSA-N |
| Molecular Weight |
254.329 g/mol |
| SMILES |
[C@]12(C(O[C@@]([C@]2([C@]2(C=C[C@@]1(C2)[H])[H])[H])(C)[H])=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954681 |
![(-)-(1S,2R,5R,6S,7R)-2-benzyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one](/api/spectrum/DvKHEN3EsqG/structure.png?h=300&w=458 "(-)-(1S,2R,5R,6S,7R)-2-benzyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one")
