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N-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-4-keto-3H-phthalazine-1-carboxamide
SpectraBase Compound ID EvjxBh4zYRJ
InChI InChI=1S/C24H27N3O4/c1-14(2)20-24(3,4)13-30-23(31-20)15-8-7-9-16(12-15)25-22(29)19-17-10-5-6-11-18(17)21(28)27-26-19/h5-12,14,20,23H,13H2,1-4H3,(H,25,29)(H,27,28)
InChIKey JYRKRXCUDRMUMV-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C24H27N3O4
Exact Mass 421.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYGhRkVi9g5
Name N-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-4-keto-3H-phthalazine-1-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27N3O4
InChI InChI=1S/C24H27N3O4/c1-14(2)20-24(3,4)13-30-23(31-20)15-8-7-9-16(12-15)25-22(29)19-17-10-5-6-11-18(17)21(28)27-26-19/h5-12,14,20,23H,13H2,1-4H3,(H,25,29)(H,27,28)
InChIKey JYRKRXCUDRMUMV-UHFFFAOYSA-N
Molecular Weight 421.497 g/mol
SMILES N1C(c2c(C(C(Nc3cc(ccc3)C3OCC(C(O3)C(C)C)(C)C)=O)=N1)cccc2)=O
SPLASH splash10-0006-0590000000-a0f136f621e11242bd5b
Synonyms N-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide N-[3-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide N-[3-(5,5-dimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
Wiley ID 1512292