| SpectraBase Spectrum ID |
K8f750DhxWa |
| Name |
1,3-Dimethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-hydroxy-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.225702400 u |
| Formula |
C27H33NO7 |
| InChI |
InChI=1S/C27H33NO7/c1-27(31)16-19(28-14-13-17-11-12-20(32-2)21(15-17)33-3)23(25(29)34-4)22(24(27)26(30)35-5)18-9-7-6-8-10-18/h6-12,15,22,24,28,31H,13-14,16H2,1-5H3 |
| InChIKey |
CHCBNBXOVYBRHA-UHFFFAOYSA-N |
| Molecular Weight |
483.561 g/mol |
| SMILES |
C1(=C(CC(C(C1C1=CC=CC=C1)C(=O)OC)(O)C)NCCC1=CC(OC)=C(C=C1)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834894 |
![1,3-Dimethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-hydroxy-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylate](/api/spectrum/K8f750DhxWa/structure.png?h=300&w=458 "1,3-Dimethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-hydroxy-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylate")
