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Pyrano[2,3-c]pyrazol-6(1H)-one, 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4,5-dihydro-3-(3-nitrophenyl)-
SpectraBase Compound ID 8UnQHNU4HDg
InChI InChI=1S/C25H18FN3O5/c26-18-5-1-3-15(11-18)14-33-20-9-7-16(8-10-20)21-13-22(30)34-25-23(21)24(27-28-25)17-4-2-6-19(12-17)29(31)32/h1-12,21H,13-14H2,(H,27,28)
InChIKey WZHQIUBSBKVZBF-UHFFFAOYSA-N
Mol Weight 459.43 g/mol
Molecular Formula C25H18FN3O5
Exact Mass 459.123049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJP5U3ZwQH4
Name Pyrano[2,3-c]pyrazol-6(1H)-one, 4-[4-[(3-fluorophenyl)methoxy]phenyl]-4,5-dihydro-3-(3-nitrophenyl)-
Alternate Name(s) 4-[4-[(3-fluorophenyl)methoxy]phenyl]-3-(3-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18FN3O5
InChI InChI=1S/C25H18FN3O5/c26-18-5-1-3-15(11-18)14-33-20-9-7-16(8-10-20)21-13-22(30)34-25-23(21)24(27-28-25)17-4-2-6-19(12-17)29(31)32/h1-12,21H,13-14H2,(H,27,28)
InChIKey WZHQIUBSBKVZBF-UHFFFAOYSA-N
Molecular Weight 459.433 g/mol
SMILES [nH]1nc(c2c1OC(CC2c1ccc(OCc2cc(ccc2)F)cc1)=O)-c1cccc(c1)N(=O)=O
SPLASH splash10-0a4i-1910000000-d9defd3637d882dc6dcc
Source of Spectrum IY-1-4678-4
Wiley ID 1654767