| SpectraBase Spectrum ID |
3sDFsGTR0AX |
| Name |
(1S)-N-(2,2-Diethoxyethyl)-2-(2,3-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)ethanamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.246437845 u |
| Formula |
C24H35NO6 |
| InChI |
InChI=1S/C24H35NO6/c1-7-30-23(31-8-2)16-25-19(17-12-13-20(26-3)22(15-17)28-5)14-18-10-9-11-21(27-4)24(18)29-6/h9-13,15,19,23,25H,7-8,14,16H2,1-6H3/t19-/m0/s1 |
| InChIKey |
CGYRLEFLVIJUHO-IBGZPJMESA-N |
| Molecular Weight |
433.545 g/mol |
| SMILES |
C=1(C(=C(OC)C=CC1)OC)C[C@@](C=1C=C(OC)C(=CC1)OC)(NCC(OCC)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953024 |
