| SpectraBase Spectrum ID |
4DrU0dnPSXJ |
| Name |
Methyl (1.beta.,3S*,6.beta.,7R*)-7-[(E)-2-ethoxycarbonylvinyl]-4,7-dimethoxy-3-methylbicyclo[4.1.0]hept-4-en-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.157288487 u |
| Formula |
C17H24O6 |
| InChI |
InChI=1S/C17H24O6/c1-6-23-14(18)7-8-17(22-5)11-9-13(20-3)16(2,10-12(11)17)15(19)21-4/h7-9,11-12H,6,10H2,1-5H3/b8-7+/t11-,12+,16+,17+/m1/s1 |
| InChIKey |
GYAGPKXXVIOAGJ-IXNNRCGXSA-N |
| Molecular Weight |
324.373 g/mol |
| SMILES |
[C@@]1([C@@]2(C=C(OC)[C@](C[C@]12[H])(C(=O)OC)C)[H])(\C=C\C(=O)OCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874196 |
![Methyl (1.beta.,3S*,6.beta.,7R*)-7-[(E)-2-ethoxycarbonylvinyl]-4,7-dimethoxy-3-methylbicyclo[4.1.0]hept-4-en-3-carboxylate](/api/spectrum/4DrU0dnPSXJ/structure.png?h=300&w=458 "Methyl (1.beta.,3S*,6.beta.,7R*)-7-[(E)-2-ethoxycarbonylvinyl]-4,7-dimethoxy-3-methylbicyclo[4.1.0]hept-4-en-3-carboxylate")
