Indano[1,2,3-kl]naphtho[7,8,8a,1,2,3-tuvwx]hexaphene

SpectraBase Compound ID	KzSpNt4AL5n
InChI	InChI=1S/C36H18/c1-2-8-22-19(7-1)17-20-14-16-28-33-26-12-6-5-11-25(26)32-24-10-4-3-9-23(24)27-15-13-21-18-29(22)30(20)35(28)31(21)34(27)36(32)33/h1-18H
InChIKey	GUIFUUBQTVIQIK-UHFFFAOYSA-N Google Search
Mol Weight	450.5 g/mol
Molecular Formula	C36H18
Exact Mass	450.140851 g/mol

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SpectraBase Spectrum ID	EWutRn42QfA
Name	Indano[1,2,3-kl]naphtho[7,8,8A,1,2,3-tuvwx]hexaphene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	450.140850580 u
Formula	C36H18
InChI	InChI=1S/C36H18/c1-2-8-22-19(7-1)17-20-14-16-28-33-26-12-6-5-11-25(26)32-24-10-4-3-9-23(24)27-15-13-21-18-29(22)30(20)35(28)31(21)34(27)36(32)33/h1-18H
InChIKey	GUIFUUBQTVIQIK-UHFFFAOYSA-N
Molecular Weight	450.540 g/mol
SMILES	C1=CC2=C3C=C4C=CC5=C6C=CC=CC6=C6C7=C5C4=C4C3=C(C=C2C=C1)C=CC4=C7C1=CC=CC=C61
Spectrum/Structure Validation Score (Vapor Phase IR)	0.952484