1-Propanone, 3-[4-(dimethylamino)phenyl]-1-(1-pyrenyl)-

SpectraBase Compound ID	1ie3Kb8WBWB
InChI	InChI=1S/C27H23NO/c1-28(2)22-13-6-18(7-14-22)8-17-25(29)23-15-11-21-10-9-19-4-3-5-20-12-16-24(23)27(21)26(19)20/h3-7,9-16H,8,17H2,1-2H3
InChIKey	BZMCYTGGXAAUGZ-UHFFFAOYSA-N Google Search
Mol Weight	377.49 g/mol
Molecular Formula	C27H23NO
Exact Mass	377.177964 g/mol

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SpectraBase Spectrum ID	5Qsr51KZ9XU
Name	1-Propanone, 3-[4-(dimethylamino)phenyl]-1-(1-pyrenyl)-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	377.177964364 u
Formula	C27H23NO
InChI	InChI=1S/C27H23NO/c1-28(2)22-13-6-18(7-14-22)8-17-25(29)23-15-11-21-10-9-19-4-3-5-20-12-16-24(23)27(21)26(19)20/h3-7,9-16H,8,17H2,1-2H3
InChIKey	BZMCYTGGXAAUGZ-UHFFFAOYSA-N
Molecular Weight	377.487 g/mol
SMILES	CN(C)C1=CC=C(C=C1)CCC(=O)C1=CC=C2C3=C1C=CC1=C3C(C=C2)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.893563