2-Methoxy-5-nitro-N-[5-phthalimido-2-pentyl]aniline

SpectraBase Compound ID	3v0irr7OZlu
InChI	InChI=1S/C20H21N3O5/c1-13(21-17-12-14(23(26)27)9-10-18(17)28-2)6-5-11-22-19(24)15-7-3-4-8-16(15)20(22)25/h3-4,7-10,12-13,21H,5-6,11H2,1-2H3
InChIKey	BXMPFLAVANUGNI-UHFFFAOYSA-N Google Search
Mol Weight	383.4 g/mol
Molecular Formula	C20H21N3O5
Exact Mass	383.148121 g/mol

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SpectraBase Spectrum ID	9YHowjivA8a
Name	2-Methoxy-5-nitro-N-[5-phthalimido-2-pentyl]aniline
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	383.148120783 u
Formula	C20H21N3O5
InChI	InChI=1S/C20H21N3O5/c1-13(21-17-12-14(23(26)27)9-10-18(17)28-2)6-5-11-22-19(24)15-7-3-4-8-16(15)20(22)25/h3-4,7-10,12-13,21H,5-6,11H2,1-2H3
InChIKey	BXMPFLAVANUGNI-UHFFFAOYSA-N
Molecular Weight	383.404 g/mol
SMILES	C1=C(C(=CC=C1N(=O)=O)OC)NC(C)CCCN1C(C2=CC=CC=C2C1=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.864231