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2(N)-Benzyl-5-{[(.alpha.-methylbenzyl)amino]carbonylamino}-1,3-dihydroisoindol
SpectraBase Compound ID 2WnbXjZ0iwr
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
Mol Weight 399.45 g/mol
Molecular Formula C24H21N3O3
Exact Mass 399.158292 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CoLMSi3JQJt
Name 2(N)-Benzyl-5-{[(.alpha.-methylbenzyl)amino]carbonylamino}-1,3-dihydroisoindol
Comments Computed using SmartSpectra Model v1.42
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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