| SpectraBase Spectrum ID |
GaMp5abRa9S |
| Name |
[(1R,4Z,9S,11R)-4-(Acetoxymethyl)-11-methyl-8-methylidene-3-oxo-11-bicyclo[7.2.0]undec-4-enyl]methyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.178023932 u |
| Formula |
C19H26O5 |
| InChI |
InChI=1S/C19H26O5/c1-12-6-5-7-15(10-23-13(2)20)18(22)8-17-16(12)9-19(17,4)11-24-14(3)21/h7,16-17H,1,5-6,8-11H2,2-4H3/b15-7-/t16-,17-,19+/m1/s1 |
| InChIKey |
RYXSCMSHMBXDLZ-PKDKSTQKSA-N |
| Molecular Weight |
334.412 g/mol |
| SMILES |
C1CC([C@]2(C[C@@]([C@@]2(CC(\C(=C/1)COC(=O)C)=O)[H])(C)COC(C)=O)[H])=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909216 |
![[(1R,4Z,9S,11R)-4-(Acetoxymethyl)-11-methyl-8-methylidene-3-oxo-11-bicyclo[7.2.0]undec-4-enyl]methyl acetate](/api/spectrum/GaMp5abRa9S/structure.png?h=300&w=458 "[(1R,4Z,9S,11R)-4-(Acetoxymethyl)-11-methyl-8-methylidene-3-oxo-11-bicyclo[7.2.0]undec-4-enyl]methyl acetate")
