| SpectraBase Spectrum ID |
Jrv5193Hcbc |
| Name |
(1R*,5S*,7R*)-3-Acetoxy-2-(methoxycarbonyl)-7-methyl-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 |
316.131073739 u |
| Formula |
C18H20O5 |
| InChI |
InChI=1S/C18H20O5/c1-11-9-18(13-7-5-4-6-8-13)10-14(22-12(2)19)15(16(11)23-18)17(20)21-3/h4-8,11,16H,9-10H2,1-3H3/t11-,16-,18+/m1/s1 |
| InChIKey |
CLCPLJALRBJVRE-ONUMYQOESA-N |
| Molecular Weight |
316.353 g/mol |
| SMILES |
C=1([C@@]2(O[C@@](CC1OC(=O)C)(C=1C=CC=CC1)C[C@]2(C)[H])[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810279 |
![(1R*,5S*,7R*)-3-Acetoxy-2-(methoxycarbonyl)-7-methyl-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene](/api/spectrum/Jrv5193Hcbc/structure.png?h=300&w=458 "(1R*,5S*,7R*)-3-Acetoxy-2-(methoxycarbonyl)-7-methyl-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene")
