SpectraBase Spectrum ID |
IHnnJifIW31 |
Name |
1,8-Dimethylpyrrolidino[2,3-B]indol-2-one 3A,3'A-dimer |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
402.205576091 u |
Formula |
C24H26N4O2 |
InChI |
InChI=1S/C24H26N4O2/c1-25-17-11-7-5-9-15(17)23(13-19(29)27(3)21(23)25)24-14-20(30)28(4)22(24)26(2)18-12-8-6-10-16(18)24/h5-12,21-22H,13-14H2,1-4H3 |
InChIKey |
VKRFXEARMLGZSK-UHFFFAOYSA-N |
Molecular Weight |
402.498 g/mol |
SMILES |
C12(C34C(N(C)C5=C4C=CC=C5)N(C)C(C3)=O)C(N(C)C=3C2=CC=CC3)N(C)C(C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829654 |