| SpectraBase Spectrum ID |
7ojUwH92u7D |
| Name |
Trans-9-ethyl-5-(ethoxycarbonyl)-4-methyl-7-oxo-8-oxabicyclo[4.3.0]non-2-ene isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-4-10-9-7-6-8(3)11(13(15)17-5-2)12(9)14(16)18-10/h6-12H,4-5H2,1-3H3/t8-,9-,10+,11-,12-/m1/s1 |
| InChIKey |
BUSDCRSHQKPZMF-RMPHRYRLSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C1([C@@]2([C@@](C=C[C@]([C@]2(C(=O)OCC)[H])(C)[H])([H])[C@@](O1)(CC)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852607 |
![Trans-9-ethyl-5-(ethoxycarbonyl)-4-methyl-7-oxo-8-oxabicyclo[4.3.0]non-2-ene isomer](/api/spectrum/7ojUwH92u7D/structure.png?h=300&w=458 "Trans-9-ethyl-5-(ethoxycarbonyl)-4-methyl-7-oxo-8-oxabicyclo[4.3.0]non-2-ene isomer")
