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2-(1-butyl-4(1H)-pyridylidene)-1,3-indandione

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

2-(1-butyl-4(1H)-pyridylidene)-1,3-indandione
SpectraBase Compound ID HWzfXEkQnF
InChI InChI=1S/C18H17NO2/c1-2-3-10-19-11-8-13(9-12-19)16-17(20)14-6-4-5-7-15(14)18(16)21/h4-9,11-12H,2-3,10H2,1H3
InChIKey NHMMAEHDXJGRMT-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C18H17NO2
Exact Mass 279.125929 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KOmf8zY92ik
Name 2-(1-Butyl-4(1H)-pyridylidene)-1,3-indandione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.125928789 u
Formula C18H17NO2
InChI InChI=1S/C18H17NO2/c1-2-3-10-19-11-8-13(9-12-19)16-17(20)14-6-4-5-7-15(14)18(16)21/h4-9,11-12H,2-3,10H2,1H3
InChIKey NHMMAEHDXJGRMT-UHFFFAOYSA-N
Molecular Weight 279.339 g/mol
SMILES C12=CC=CC=C1C(C(C2=O)=C1C=CN(C=C1)CCCC)=O
Spectrum/Structure Validation Score (Raman) 0.962854