| SpectraBase Spectrum ID |
81baReA56N3 |
| Name |
Ethyl (5Z,4S,10R)-10,11-o-isopropylidenedioxy-4-methoxymethoxy-5-undecenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.219888744 u |
| Formula |
C18H32O6 |
| InChI |
InChI=1S/C18H32O6/c1-5-21-17(19)12-11-15(22-14-20-4)9-7-6-8-10-16-13-23-18(2,3)24-16/h7,9,15-16H,5-6,8,10-14H2,1-4H3/b9-7-/t15-,16-/m1/s1 |
| InChIKey |
YLOOLLMCCUFERS-LRDXNBAQSA-N |
| Molecular Weight |
344.448 g/mol |
| SMILES |
C1(O[C@](CCC\C=C/[C@](CCC(=O)OCC)(OCOC)[H])(CO1)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963439 |
