SpectraBase Spectrum ID |
CoLMSi3JQJt |
Name |
2(N)-Benzyl-5-{[(.alpha.-methylbenzyl)amino]carbonylamino}-1,3-dihydroisoindol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
399.158291545 u |
Formula |
C24H21N3O3 |
InChI |
InChI=1S/C24H21N3O3/c1-16(18-10-6-3-7-11-18)25-24(30)26-19-12-13-20-21(14-19)23(29)27(22(20)28)15-17-8-4-2-5-9-17/h2-14,16H,15H2,1H3,(H2,25,26,30)/t16-/m1/s1 |
InChIKey |
QEUAJVWHZVOGFP-MRXNPFEDSA-N |
Molecular Weight |
399.450 g/mol |
SMILES |
C1(N(C(C=2C=CC(=CC12)NC(N[C@@](C1=CC=CC=C1)(C)[H])=O)=O)CC=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923246 |