| SpectraBase Spectrum ID |
CpFp6shq7kx |
| Name |
(E)-(1S,9S)-Dimethyl bicyclo[7.1.0]dec-3-en-8-one-1,6-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.115423675 u |
| Formula |
C14H18O5 |
| InChI |
InChI=1S/C14H18O5/c1-18-12(16)9-5-3-4-6-14(13(17)19-2)8-10(14)11(15)7-9/h3-4,9-10H,5-8H2,1-2H3/b4-3+/t9?,10-,14+/m1/s1 |
| InChIKey |
QYCOTSQGPYWIOO-UFXAAXRNSA-N |
| Molecular Weight |
266.293 g/mol |
| SMILES |
[C@@]12([C@](C(CC(C(=O)OC)C\C=C\C2)=O)([H])C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864608 |
![(E)-(1S,9S)-Dimethyl bicyclo[7.1.0]dec-3-en-8-one-1,6-dicarboxylate](/api/spectrum/CpFp6shq7kx/structure.png?h=300&w=458 "(E)-(1S,9S)-Dimethyl bicyclo[7.1.0]dec-3-en-8-one-1,6-dicarboxylate")
