| SpectraBase Spectrum ID |
6toGFZxgPoS |
| Name |
1-(3'-Methoxy-3'-oxopropionyloxy)-5-acetoxy-4-methyl-3-heptene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.141638422 u |
| Formula |
C14H22O6 |
| InChI |
InChI=1S/C14H22O6/c1-5-12(20-11(3)15)10(2)7-6-8-19-14(17)9-13(16)18-4/h7,12H,5-6,8-9H2,1-4H3/b10-7+ |
| InChIKey |
NWLQEQFOZQJBHP-JXMROGBWSA-N |
| SMILES |
C(C(=O)OC)C(=O)OCC\C=C\(C(OC(=O)C)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848498 |
