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Azacycloheptan-2-one, 3-[2-(diphenylmethoxy)ethylamino]-
SpectraBase Compound ID 5NtCFt467XP
InChI InChI=1S/C21H26N2O2/c24-21-19(13-7-8-14-23-21)22-15-16-25-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2,(H,23,24)
InChIKey NPLFAUOLLJVJFR-UHFFFAOYSA-N
Mol Weight 338.45 g/mol
Molecular Formula C21H26N2O2
Exact Mass 338.199428 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8xBYg2u7b1A
Name Azacycloheptan-2-one, 3-[2-(diphenylmethoxy)ethylamino]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.199428083 u
Formula C21H26N2O2
InChI InChI=1S/C21H26N2O2/c24-21-19(13-7-8-14-23-21)22-15-16-25-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2,(H,23,24)
InChIKey NPLFAUOLLJVJFR-UHFFFAOYSA-N
Molecular Weight 338.451 g/mol
SMILES C1NC(C(CCC1)NCCOC(C=1C=CC=CC1)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943176