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2-[3-[(N-Isopropylaminocarbonyl]propyl]-4-(3-pyridyl)-1(2H)-phthalazinone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[3-[(N-Isopropylaminocarbonyl]propyl]-4-(3-pyridyl)-1(2H)-phthalazinone
SpectraBase Compound ID 68qpMPgpgnP
InChI InChI=1S/C20H22N4O2/c1-14(2)22-18(25)10-6-12-24-20(26)17-9-4-3-8-16(17)19(23-24)15-7-5-11-21-13-15/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,22,25)
InChIKey VQASVRBWLFIKEF-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C20H22N4O2
Exact Mass 350.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VGj8UupjAw
Name 2-[3-[(N-Isopropylaminocarbonyl]propyl]-4-(3-pyridyl)-1(2H)-phthalazinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.174275962 u
Formula C20H22N4O2
InChI InChI=1S/C20H22N4O2/c1-14(2)22-18(25)10-6-12-24-20(26)17-9-4-3-8-16(17)19(23-24)15-7-5-11-21-13-15/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,22,25)
InChIKey VQASVRBWLFIKEF-UHFFFAOYSA-N
Molecular Weight 350.422 g/mol
SMILES C1(N(N=C(C=2C1=CC=CC2)C=1C=NC=CC1)CCCC(NC(C)C)=O)=O