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N-Benzyl-3-oxo-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide
SpectraBase Compound ID ErkLDowBKbg
InChI InChI=1S/C23H21N3O3/c27-21-16-29-20-11-5-4-10-19(20)22(26(21)15-18-9-6-12-24-13-18)23(28)25-14-17-7-2-1-3-8-17/h1-13,22H,14-16H2,(H,25,28)
InChIKey FKFQCKLVHPHRKZ-UHFFFAOYSA-N
Mol Weight 387.44 g/mol
Molecular Formula C23H21N3O3
Exact Mass 387.158292 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 65Gp4nPIpHi
Name N-Benzyl-3-oxo-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.158291545 u
Formula C23H21N3O3
InChI InChI=1S/C23H21N3O3/c27-21-16-29-20-11-5-4-10-19(20)22(26(21)15-18-9-6-12-24-13-18)23(28)25-14-17-7-2-1-3-8-17/h1-13,22H,14-16H2,(H,25,28)
InChIKey FKFQCKLVHPHRKZ-UHFFFAOYSA-N
Molecular Weight 387.439 g/mol
SMILES C1OC=2C(C(N(C1=O)CC1=CN=CC=C1)C(=O)NCC1=CC=CC=C1)=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920403