| SpectraBase Spectrum ID |
3gk6uXPqslD |
| Name |
3-Acetoxy-2-(methoxycarbonyl)-1-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/c1-12(19)22-14-11-18(13-7-5-4-6-8-13)10-9-17(2,23-18)15(14)16(20)21-3/h4-8H,9-11H2,1-3H3 |
| InChIKey |
XAVOGLXCPPKMRY-UHFFFAOYSA-N |
| Molecular Weight |
316.353 g/mol |
| SMILES |
C=1(C2(OC(CC1OC(=O)C)(C=1C=CC=CC1)CC2)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812596 |
![3-Acetoxy-2-(methoxycarbonyl)-1-methyl-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene](/api/spectrum/3gk6uXPqslD/structure.png?h=300&w=458 "3-Acetoxy-2-(methoxycarbonyl)-1-methyl-5-phenyl-8-oxabicyclo[3.2.1]oct-2-ene")
