| SpectraBase Spectrum ID |
HZJDuUKRV12 |
| Name |
(3E,4R,5R)-3-Dodec-11-enylidene-4-hydroxy-5-methoxy-5-methyl-2-oxolanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.214409442 u |
| Formula |
C18H30O4 |
| InChI |
InChI=1S/C18H30O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(19)18(2,21-3)22-17(15)20/h4,14,16,19H,1,5-13H2,2-3H3/b15-14+/t16-,18-/m1/s1 |
| InChIKey |
WBGZYWAQSKEEGP-QYTBGFITSA-N |
| SMILES |
C1(\C([C@]([C@@](O1)(OC)C)(O)[H])=C\CCCCCCCCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93192 |
