| SpectraBase Spectrum ID |
1UWJ4Tx2T6K |
| Name |
3-Nonene-2,5-diol, 5-butyl-1-methoxy-, diacetate, [S-(E)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.224974125 u |
| Formula |
C18H32O5 |
| InChI |
InChI=1S/C18H32O5/c1-6-8-11-18(12-9-7-2,23-16(4)20)13-10-17(14-21-5)22-15(3)19/h10,13,17H,6-9,11-12,14H2,1-5H3/b13-10+/t17-/m0/s1 |
| InChIKey |
NVGVFNDNPHZZBW-RTGRKSDTSA-N |
| Molecular Weight |
328.449 g/mol |
| SMILES |
[C@](\C=C\C(OC(=O)C)(CCCC)CCCC)(OC(=O)C)(COC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901045 |
![3-Nonene-2,5-diol, 5-butyl-1-methoxy-, diacetate, [S-(E)]-](/api/spectrum/1UWJ4Tx2T6K/structure.png?h=300&w=458 "3-Nonene-2,5-diol, 5-butyl-1-methoxy-, diacetate, [S-(E)]-")
