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Acetamide, N-[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-is oquinolinyl]-
SpectraBase Compound ID 6fbw2YFRdPt
InChI InChI=1S/C22H28N2O5/c1-14(25)23-24-9-8-16-12-21(28-4)22(29-5)13-17(16)18(24)10-15-6-7-19(26-2)20(11-15)27-3/h6-7,11-13,18H,8-10H2,1-5H3,(H,23,25)
InChIKey NQIDYYXCPOMEIN-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4kZtTbQndWA
Name Acetamide, N-[1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-is oquinolinyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.199822005 u
Formula C22H28N2O5
InChI InChI=1S/C22H28N2O5/c1-14(25)23-24-9-8-16-12-21(28-4)22(29-5)13-17(16)18(24)10-15-6-7-19(26-2)20(11-15)27-3/h6-7,11-13,18H,8-10H2,1-5H3,(H,23,25)
InChIKey NQIDYYXCPOMEIN-UHFFFAOYSA-N
Molecular Weight 400.475 g/mol
SMILES C1(N(CCC=2C=C(C(=CC12)OC)OC)NC(=O)C)CC=1C=C(OC)C(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892502