6A-Amino-3,3A,4-tricyano-2,5-bis(3,5-dimethylphenyl)furo[2,3-B]furan

SpectraBase Compound ID	J5lMg6Fpr7x
InChI	InChI=1S/C25H20N4O2/c1-14-5-15(2)8-18(7-14)22-20(11-26)24(13-28)21(12-27)23(31-25(24,29)30-22)19-9-16(3)6-17(4)10-19/h5-10H,29H2,1-4H3
InChIKey	AXPNCKIPGHCYBK-UHFFFAOYSA-N Google Search
Mol Weight	408.46 g/mol
Molecular Formula	C25H20N4O2
Exact Mass	408.158626 g/mol

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SpectraBase Spectrum ID	F8JYhTD99Zi
Name	6A-Amino-3,3A,4-tricyano-2,5-bis(3,5-dimethylphenyl)furo[2,3-B]furan
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	408.158625898 u
Formula	C25H20N4O2
InChI	InChI=1S/C25H20N4O2/c1-14-5-15(2)8-18(7-14)22-20(11-26)24(13-28)21(12-27)23(31-25(24,29)30-22)19-9-16(3)6-17(4)10-19/h5-10H,29H2,1-4H3
InChIKey	AXPNCKIPGHCYBK-UHFFFAOYSA-N
Molecular Weight	408.461 g/mol
SMILES	C12(C(OC(=C2C#N)C2=CC(C)=CC(=C2)C)(OC(=C1C#N)C1=CC(C)=CC(=C1)C)N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR)	0.907978