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N-(2,3-Dihydrobenzo[B][1,4]dioxin-6-yl)-4-(3-morpholinopropyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide

View entire compound with spectra: 1 FTIR

N-(2,3-Dihydrobenzo[B][1,4]dioxin-6-yl)-4-(3-morpholinopropyl)-3-oxo-2,3,4,5-tetrahydrobenzo[F][1,4]oxazepine-5-carboxamide
SpectraBase Compound ID BnxNdhTq8ij
InChI InChI=1S/C25H29N3O6/c29-23-17-34-20-5-2-1-4-19(20)24(28(23)9-3-8-27-10-12-31-13-11-27)25(30)26-18-6-7-21-22(16-18)33-15-14-32-21/h1-2,4-7,16,24H,3,8-15,17H2,(H,26,30)
InChIKey AUFCWXLHQILZRH-UHFFFAOYSA-N
Mol Weight 467.52 g/mol
Molecular Formula C25H29N3O6
Exact Mass 467.205636 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DK1IvZCWG1N
Name N-(2,3-Dihydrobenzo[B][1,4]dioxin-6-yl)-4-(3-morpholinopropyl)-3-oxo-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 467.205635660 u
Formula C25H29N3O6
InChI InChI=1S/C25H29N3O6/c29-23-17-34-20-5-2-1-4-19(20)24(28(23)9-3-8-27-10-12-31-13-11-27)25(30)26-18-6-7-21-22(16-18)33-15-14-32-21/h1-2,4-7,16,24H,3,8-15,17H2,(H,26,30)
InChIKey AUFCWXLHQILZRH-UHFFFAOYSA-N
Molecular Weight 467.522 g/mol
SMILES C1OC=2C(C(N(C1=O)CCCN1CCOCC1)C(=O)NC=1C=CC=3OCCOC3C1)=CC=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906188