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6-Methylpyrano[2,3-c]-3-phenethyl-1-phenylpyrazol-4(1H)-one

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

6-Methylpyrano[2,3-c]-3-phenethyl-1-phenylpyrazol-4(1H)-one
SpectraBase Compound ID 8TtG7iMTh8g
InChI InChI=1S/C21H18N2O2/c1-15-14-19(24)20-18(13-12-16-8-4-2-5-9-16)22-23(21(20)25-15)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3
InChIKey CKFZSGFXNYPUML-UHFFFAOYSA-N
Mol Weight 330.39 g/mol
Molecular Formula C21H18N2O2
Exact Mass 330.136828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpQ4NioLSHz
Name 6-Methylpyrano[2,3-C]-3-phenethyl-1-phenylpyrazol-4(1H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.136827826 u
Formula C21H18N2O2
InChI InChI=1S/C21H18N2O2/c1-15-14-19(24)20-18(13-12-16-8-4-2-5-9-16)22-23(21(20)25-15)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3
InChIKey CKFZSGFXNYPUML-UHFFFAOYSA-N
Molecular Weight 330.387 g/mol
SMILES C12=C(C(CCC=3C=CC=CC3)=NN1C1=CC=CC=C1)C(=O)C=C(O2)C