| SpectraBase Spectrum ID |
9xBUrCnxy2G |
| Name |
3-Acetoxy-2-(methoxycarbonyl)-1-methyl-5-propyl-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 |
282.146723803 u |
| Formula |
C15H22O5 |
| InChI |
InChI=1S/C15H22O5/c1-5-6-15-8-7-14(3,20-15)12(13(17)18-4)11(9-15)19-10(2)16/h5-9H2,1-4H3 |
| InChIKey |
CETCRFZNQULNTI-UHFFFAOYSA-N |
| SMILES |
C=1(C2(OC(CC1OC(=O)C)(CCC)CC2)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857239 |
![3-Acetoxy-2-(methoxycarbonyl)-1-methyl-5-propyl-8-oxabicyclo[3.2.1]oct-2-ene](/api/spectrum/9xBUrCnxy2G/structure.png?h=300&w=458 "3-Acetoxy-2-(methoxycarbonyl)-1-methyl-5-propyl-8-oxabicyclo[3.2.1]oct-2-ene")
