| SpectraBase Spectrum ID |
4Ryjmhlg3lv |
| Name |
1-Acetoxy-5-(3'-methoxy-3'-oxopropionyloxy)-2-methyl-2-pentene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.110338294 u |
| Formula |
C12H18O6 |
| InChI |
InChI=1S/C12H18O6/c1-9(8-18-10(2)13)5-4-6-17-12(15)7-11(14)16-3/h5H,4,6-8H2,1-3H3/b9-5+ |
| InChIKey |
LQTCJCJSVAZMNS-WEVVVXLNSA-N |
| Molecular Weight |
258.270 g/mol |
| SMILES |
C(C(=O)OC)C(=O)OCC\C=C\(COC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983855 |
