| SpectraBase Spectrum ID |
tjxXm1OWST |
| Name |
5-Tert-butyl-2-(methoxycarbonyl)-1-methyl-8-oxabicyclo[3.2.1]octan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.151809184 u |
| Formula |
C14H22O4 |
| InChI |
InChI=1S/C14H22O4/c1-12(2,3)14-7-6-13(4,18-14)10(9(15)8-14)11(16)17-5/h10H,6-8H2,1-5H3 |
| InChIKey |
LHKHFJXUQMPJQG-UHFFFAOYSA-N |
| Molecular Weight |
254.326 g/mol |
| SMILES |
C12(C(C(=O)CC(O2)(C(C)(C)C)CC1)C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818287 |
![5-Tert-butyl-2-(methoxycarbonyl)-1-methyl-8-oxabicyclo[3.2.1]octan-3-one](/api/spectrum/tjxXm1OWST/structure.png?h=300&w=458 "5-Tert-butyl-2-(methoxycarbonyl)-1-methyl-8-oxabicyclo[3.2.1]octan-3-one")
