| SpectraBase Spectrum ID |
Cu887A6CXlC |
| Name |
Tert-butyl (1.beta.,3S*,6.beta.,7R*)-7-[(E)-2-ethoxycarbonylvinyl]-4,7-dimethoxybicyclo[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 |
352.188588616 u |
| Formula |
C19H28O6 |
| InChI |
InChI=1S/C19H28O6/c1-7-24-16(20)8-9-19(23-6)13-10-12(15(22-5)11-14(13)19)17(21)25-18(2,3)4/h8-9,11-14H,7,10H2,1-6H3/b9-8+/t12-,13-,14+,19+/m0/s1 |
| InChIKey |
IUEAHBLMPKFASL-OTLKPQQLSA-N |
| Molecular Weight |
352.427 g/mol |
| SMILES |
[C@@]1([C@@]2(C=C(OC)[C@](C[C@]12[H])(C(OC(C)(C)C)=O)[H])[H])(\C=C\C(=O)OCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877845 |
![Tert-butyl (1.beta.,3S*,6.beta.,7R*)-7-[(E)-2-ethoxycarbonylvinyl]-4,7-dimethoxybicyclo[4.1.0]hept-4-en-3-carboxylate](/api/spectrum/Cu887A6CXlC/structure.png?h=300&w=458 "Tert-butyl (1.beta.,3S*,6.beta.,7R*)-7-[(E)-2-ethoxycarbonylvinyl]-4,7-dimethoxybicyclo[4.1.0]hept-4-en-3-carboxylate")
