| SpectraBase Spectrum ID |
3hmelZXDCqV |
| Name |
Dimethyl 3-[2'-methyl-1'-(2''-methylphenyl)prop-1'-enyl]cyclohex-4-ene-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.183109313 u |
| Formula |
C21H26O4 |
| InChI |
InChI=1S/C21H26O4/c1-13(2)18(15-10-7-6-9-14(15)3)16-11-8-12-17(20(22)24-4)19(16)21(23)25-5/h6-11,16-17,19H,12H2,1-5H3 |
| InChIKey |
NMTKRGXAYLYCGA-UHFFFAOYSA-N |
| Molecular Weight |
342.435 g/mol |
| SMILES |
C(C1C(C(C(=O)OC)CC=C1)C(=O)OC)(C=1C(C)=CC=CC1)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938289 |
![Dimethyl 3-[2'-methyl-1'-(2"-methylphenyl)prop-1'-enyl]cyclohex-4-ene-1,2-dicarboxylate](/api/spectrum/3hmelZXDCqV/structure.png?h=300&w=458 "Dimethyl 3-[2'-methyl-1'-(2\"-methylphenyl)prop-1'-enyl]cyclohex-4-ene-1,2-dicarboxylate")
