| SpectraBase Spectrum ID |
HvNMvkHCJGK |
| Name |
3-[(3'as,4'S,7'as)-1'-Keto-7'A-methyl-spiro[1,3-dioxolane-2,5'-2,3,3A,4,6,7-hexahydroindene]-4'-yl]propionic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.162373868 u |
| Formula |
C16H24O5 |
| InChI |
InChI=1S/C16H24O5/c1-15-7-8-16(20-9-10-21-16)12(4-6-14(18)19-2)11(15)3-5-13(15)17/h11-12H,3-10H2,1-2H3/t11-,12-,15-/m0/s1 |
| InChIKey |
MAIYIJZESLAJNR-HUBLWGQQSA-N |
| SMILES |
[C@@]12([C@]([C@](CCC(=O)OC)(C3(CC2)OCCO3)[H])(CCC1=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95687 |
![3-[(3'aS,4'S,7'aS)-1'-keto-7'a-methyl-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydroindene]-4'-yl]propionic acid methyl ester](/api/spectrum/HvNMvkHCJGK/structure.png?h=300&w=458 "3-[(3'aS,4'S,7'aS)-1'-keto-7'a-methyl-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydroindene]-4'-yl]propionic acid methyl ester")
