| SpectraBase Spectrum ID |
Cpt4aBZTnkk |
| Name |
2-Butene-1,4-diol, 2-(4,8-dimethyl-3,8-nonadienyl)-, diacetate, (E,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.214409442 u |
| Formula |
C19H30O4 |
| InChI |
InChI=1S/C19H30O4/c1-15(2)8-6-9-16(3)10-7-11-19(14-23-18(5)21)12-13-22-17(4)20/h10,12H,1,6-9,11,13-14H2,2-5H3/b16-10+,19-12+ |
| InChIKey |
NQIYAZZNFZJCPS-LKEMZLNRSA-N |
| Molecular Weight |
322.445 g/mol |
| SMILES |
C(=O)(OC\C(=C\COC(=O)C)CC\C=C\(CCCC(=C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975511 |
