| SpectraBase Spectrum ID |
Jr5xmaMK2J3 |
| Name |
Methyl syn/anti-8-(2,4-dimethylphenyl)spiro[2.5]oct-7-ene-5-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.161979946 u |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-12-4-6-15(13(2)10-12)16-7-5-14(17(19)20-3)11-18(16)8-9-18/h4,6-7,10,14H,5,8-9,11H2,1-3H3 |
| InChIKey |
QFDROJUAAWPPAL-UHFFFAOYSA-N |
| Molecular Weight |
270.372 g/mol |
| SMILES |
C12(C(C=3C(=CC(=CC3)C)C)=CCC(C(=O)OC)C1)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805358 |
![Methyl syn/anti-8-(2,4-dimethylphenyl)spiro[2.5]oct-7-ene-5-carboxylate](/api/spectrum/Jr5xmaMK2J3/structure.png?h=300&w=458 "Methyl syn/anti-8-(2,4-dimethylphenyl)spiro[2.5]oct-7-ene-5-carboxylate")
