| SpectraBase Spectrum ID |
GGcuhafddq9 |
| Name |
(Z)-1,3-Dimethoxypropan-2-yl icos-11-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.355260022 u |
| Formula |
C25H48O4 |
| InChI |
InChI=1S/C25H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(26)29-24(22-27-2)23-28-3/h11-12,24H,4-10,13-23H2,1-3H3/b12-11- |
| InChIKey |
ZKIVTPVYCIAXCY-QXMHVHEDSA-N |
| Molecular Weight |
412.655 g/mol |
| SMILES |
C(CCCCCCCCC\C=C/CCCCCCCC)(=O)OC(COC)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96388 |
