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3-Pentanone, 1-(4-aminophenyl)-5-(4-methylphenyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3-Pentanone, 1-(4-aminophenyl)-5-(4-methylphenyl)-
SpectraBase Compound ID 1dMZCQM2e8K
InChI InChI=1S/C18H21NO/c1-14-2-4-15(5-3-14)8-12-18(20)13-9-16-6-10-17(19)11-7-16/h2-7,10-11H,8-9,12-13,19H2,1H3
InChIKey ZGGMYLZFKMRVKF-UHFFFAOYSA-N
Mol Weight 267.37 g/mol
Molecular Formula C18H21NO
Exact Mass 267.162314 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5GcOf2lBnPC
Name 3-Pentanone, 1-(4-aminophenyl)-5-(4-methylphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.162314299 u
Formula C18H21NO
InChI InChI=1S/C18H21NO/c1-14-2-4-15(5-3-14)8-12-18(20)13-9-16-6-10-17(19)11-7-16/h2-7,10-11H,8-9,12-13,19H2,1H3
InChIKey ZGGMYLZFKMRVKF-UHFFFAOYSA-N
Molecular Weight 267.372 g/mol
SMILES NC1=CC=C(CCC(CCC2=CC=C(C=C2)C)=O)C=C1
Spectrum/Structure Validation Score (Raman) 0.964724