| SpectraBase Spectrum ID |
4vrzrstcGxt |
| Name |
(1R*,5S*,7R*)-3-Acetoxy-7-isopropyl-2-(methoxycarbonyl)-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.162373868 u |
| Formula |
C20H24O5 |
| InChI |
InChI=1S/C20H24O5/c1-12(2)15-10-20(14-8-6-5-7-9-14)11-16(24-13(3)21)17(18(15)25-20)19(22)23-4/h5-9,12,15,18H,10-11H2,1-4H3/t15-,18-,20+/m1/s1 |
| InChIKey |
JOXJUHVSWSOFCV-ZTNFWEORSA-N |
| Molecular Weight |
344.407 g/mol |
| SMILES |
C=1([C@@]2(O[C@@](CC1OC(=O)C)(C=1C=CC=CC1)C[C@@]2(C(C)C)[H])[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899645 |
![(1R*,5S*,7R*)-3-Acetoxy-7-isopropyl-2-(methoxycarbonyl)-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene](/api/spectrum/4vrzrstcGxt/structure.png?h=300&w=458 "(1R*,5S*,7R*)-3-Acetoxy-7-isopropyl-2-(methoxycarbonyl)-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene")
