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4-Benzyl-1(2H)-oxophthalazin-2-ylacetyl-N1-phenylsemicarbazide
SpectraBase Compound ID 7Jp8b9ef6ha
InChI InChI=1S/C24H21N5O3/c30-22(26-27-24(32)25-18-11-5-2-6-12-18)16-29-23(31)20-14-8-7-13-19(20)21(28-29)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,26,30)(H2,25,27,32)
InChIKey KNZFHBUCVHXQNU-UHFFFAOYSA-N
Mol Weight 427.46 g/mol
Molecular Formula C24H21N5O3
Exact Mass 427.16444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6BSFmF8NqL
Name 4-Benzyl-1(2H)-oxophthalazin-2-ylacetyl-N1-phenylsemicarbazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.164439553 u
Formula C24H21N5O3
InChI InChI=1S/C24H21N5O3/c30-22(26-27-24(32)25-18-11-5-2-6-12-18)16-29-23(31)20-14-8-7-13-19(20)21(28-29)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,26,30)(H2,25,27,32)
InChIKey KNZFHBUCVHXQNU-UHFFFAOYSA-N
Molecular Weight 427.464 g/mol
SMILES C1(=NN(C(C2=C1C=CC=C2)=O)CC(NNC(NC1=CC=CC=C1)=O)=O)CC1=CC=CC=C1