| SpectraBase Spectrum ID |
CHs8sx7jSaY |
| Name |
1-[(5R,6S)-5-Acetyl-2-benzylamino-4-methyl-6-(3-nitro-phenyl)-cyclohexa-1,3-dienyl]-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.173607257 u |
| Formula |
C24H24N2O4 |
| InChI |
InChI=1S/C24H24N2O4/c1-15-12-21(25-14-18-8-5-4-6-9-18)23(17(3)28)24(22(15)16(2)27)19-10-7-11-20(13-19)26(29)30/h4-13,22,24-25H,14H2,1-3H3/t22-,24-/m1/s1 |
| InChIKey |
IMVOYCCXSITJMP-ISKFKSNPSA-N |
| Molecular Weight |
404.466 g/mol |
| SMILES |
C1(=C(C=C([C@@]([C@]1(C=1C=C(N(=O)=O)C=CC1)[H])(C(=O)C)[H])C)NCC=1C=CC=CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896864 |
![1-[(5R,6S)-5-Acetyl-2-benzylamino-4-methyl-6-(3-nitro-phenyl)-cyclohexa-1,3-dienyl]-ethanone](/api/spectrum/CHs8sx7jSaY/structure.png?h=300&w=458 "1-[(5R,6S)-5-Acetyl-2-benzylamino-4-methyl-6-(3-nitro-phenyl)-cyclohexa-1,3-dienyl]-ethanone")
