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2-[1-(4-Bromobenzyl)-1,4-dihydropyridin-4-ylidene]indan-1,3-dione

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

2-[1-(4-Bromobenzyl)-1,4-dihydropyridin-4-ylidene]indan-1,3-dione
SpectraBase Compound ID HcbmQRnhmIQ
InChI InChI=1S/C21H14BrNO2/c22-16-7-5-14(6-8-16)13-23-11-9-15(10-12-23)19-20(24)17-3-1-2-4-18(17)21(19)25/h1-12H,13H2
InChIKey JMMQCXUEDMTRPR-UHFFFAOYSA-N
Mol Weight 392.25 g/mol
Molecular Formula C21H14BrNO2
Exact Mass 391.020792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHJCTArskiU
Name 2-[1-(4-Bromobenzyl)-1,4-dihydropyridin-4-ylidene]indan-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 391.020791693 u
Formula C21H14BrNO2
InChI InChI=1S/C21H14BrNO2/c22-16-7-5-14(6-8-16)13-23-11-9-15(10-12-23)19-20(24)17-3-1-2-4-18(17)21(19)25/h1-12H,13H2
InChIKey JMMQCXUEDMTRPR-UHFFFAOYSA-N
Molecular Weight 392.252 g/mol
SMILES C(N1C=CC(C=C1)=C1C(C2=CC=CC=C2C1=O)=O)C1=CC=C(C=C1)Br