| SpectraBase Spectrum ID |
GAkMD7mVQXG |
| Name |
(2R,3R)-3-[(3,4-Dimethoxyphenyl)methyl]-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-oxidanyl-N-(phenylmethyl)butanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.230787781 u |
| Formula |
C28H33NO6 |
| InChI |
InChI=1S/C28H33NO6/c1-33-25-12-10-20(16-27(25)35-3)13-22(18-30)23(14-21-9-11-24(31)26(15-21)34-2)28(32)29-17-19-7-5-4-6-8-19/h4-12,15-16,22-23,30-31H,13-14,17-18H2,1-3H3,(H,29,32)/t22-,23+/m0/s1 |
| InChIKey |
NTNORNMKMVEDLE-XZOQPEGZSA-N |
| Molecular Weight |
479.573 g/mol |
| SMILES |
C([C@@]([C@@](CC1=CC(OC)=C(C=C1)OC)(CO)[H])(CC=1C=C(OC)C(=CC1)O)[H])(NCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907582 |
![(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-oxidanyl-N-(phenylmethyl)butanamide](/api/spectrum/GAkMD7mVQXG/structure.png?h=300&w=458 "(2R,3R)-3-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-oxidanyl-N-(phenylmethyl)butanamide")
