| SpectraBase Spectrum ID |
6hT5qQN2jYF |
| Name |
2-Butenoic acid, 7-(acetyloxy)-3,6,7,8,9,10-hexahydro-6-hydroxy-2-methyl-10-oxo-2H-oxecin-3-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.136553041 u |
| Formula |
C16H22O7 |
| InChI |
InChI=1S/C16H22O7/c1-4-5-15(19)23-13-7-6-12(18)14(22-11(3)17)8-9-16(20)21-10(13)2/h4-7,10,12-14,18H,8-9H2,1-3H3/b5-4+,7-6+ |
| InChIKey |
GXBAKQFLYWSOJH-YTXTXJHMSA-N |
| Molecular Weight |
326.345 g/mol |
| SMILES |
C1(O)C(CCC(OC(C)C(\C=C\1)OC(\C=C\C)=O)=O)OC(C)=O |
