1,7-bis(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-4-aza-heptane

SpectraBase Compound ID	8cfTFS8pxbU
InChI	InChI=1S/C30H25N3O4/c34-27-21-11-1-7-19-8-2-12-22(25(19)21)28(35)32(27)17-5-15-31-16-6-18-33-29(36)23-13-3-9-20-10-4-14-24(26(20)23)30(33)37/h1-4,7-14,31H,5-6,15-18H2
InChIKey	XLNFZBPVGJXYBO-UHFFFAOYSA-N Google Search
Mol Weight	491.55 g/mol
Molecular Formula	C30H25N3O4
Exact Mass	491.184506 g/mol

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SpectraBase Spectrum ID	2l5qo7wErqz
Name	1,7-bis(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-4-aza-heptane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	491.184506293 u
Formula	C30H25N3O4
InChI	InChI=1S/C30H25N3O4/c34-27-21-11-1-7-19-8-2-12-22(25(19)21)28(35)32(27)17-5-15-31-16-6-18-33-29(36)23-13-3-9-20-10-4-14-24(26(20)23)30(33)37/h1-4,7-14,31H,5-6,15-18H2
InChIKey	XLNFZBPVGJXYBO-UHFFFAOYSA-N
Molecular Weight	491.547 g/mol
SMILES	C1(N(C(C=2C3=C(C=CC=C13)C=CC2)=O)CCCNCCCN1C(C2=CC=CC3=C2C(C1=O)=CC=C3)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.85989