| SpectraBase Spectrum ID |
6AS47Ntlf84 |
| Name |
Myrothecic acid, hexahydro-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.188588616 u |
| Formula |
C16H28O6 |
| InChI |
InChI=1S/C16H28O6/c1-11(9-15(18)20-4)10-16-21-12(2)13(22-16)7-5-6-8-14(17)19-3/h11-13,16H,5-10H2,1-4H3 |
| InChIKey |
ZKSRSWAPEZNXSR-UHFFFAOYSA-N |
| Molecular Weight |
316.394 g/mol |
| SMILES |
C(CC1OC(CC(CC(OC)=O)C)OC1C)CCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854538 |
