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Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-(4-chlorophenyl)-2,4-dihydro-3-phenyl-
SpectraBase Compound ID GkeB2x03VNX
InChI InChI=1S/C19H13ClN4O/c20-13-8-6-11(7-9-13)15-14(10-21)18(22)25-19-16(15)17(23-24-19)12-4-2-1-3-5-12/h1-9,15H,22H2,(H,23,24)
InChIKey NWIKZTKVLDDMQG-UHFFFAOYSA-N
Mol Weight 348.79 g/mol
Molecular Formula C19H13ClN4O
Exact Mass 348.077789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YXdRiUrCE7
Name Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-(4-chlorophenyl)-2,4-dihydro-3-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.077788754 u
Formula C19H13ClN4O
InChI InChI=1S/C19H13ClN4O/c20-13-8-6-11(7-9-13)15-14(10-21)18(22)25-19-16(15)17(23-24-19)12-4-2-1-3-5-12/h1-9,15H,22H2,(H,23,24)
InChIKey NWIKZTKVLDDMQG-UHFFFAOYSA-N
SMILES NC=1OC=2C(=C(NN2)C2=CC=CC=C2)C(C1C#N)C=1C=CC(=CC1)Cl