Benzo[ghi]diindeno[1,2,3-cd:1',2',3'-lm]perylene

SpectraBase Compound ID	7K3TYbQV32n
InChI	InChI=1S/C34H16/c1-3-7-21-19(5-1)23-11-13-25-26-14-12-24-20-6-2-4-8-22(20)28-16-18-10-9-17-15-27(21)31(23)33(25)29(17)30(18)34(26)32(24)28/h1-16H
InChIKey	ITLWBEFPVZRGNJ-UHFFFAOYSA-N Google Search
Mol Weight	424.5 g/mol
Molecular Formula	C34H16
Exact Mass	424.125201 g/mol

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SpectraBase Spectrum ID	8AzgViuL8v2
Name	Benzo[ghi]diindeno[1,2,3-cd:1',2',3'-lm]perylene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	424.125200515 u
Formula	C34H16
InChI	InChI=1S/C34H16/c1-3-7-21-19(5-1)23-11-13-25-26-14-12-24-20-6-2-4-8-22(20)28-16-18-10-9-17-15-27(21)31(23)33(25)29(17)30(18)34(26)32(24)28/h1-16H
InChIKey	ITLWBEFPVZRGNJ-UHFFFAOYSA-N
Molecular Weight	424.502 g/mol
SMILES	C1=C2C3=C(C=4C2=CC=CC4)C=C2C4=C3C(=C1)C1=CC=C3C=5C1=C4C(C=C2)=CC5C=1C3=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.929902