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N-{5-[(2,5-Dimethyl-4-nitro-2H-pyrazol-3-yl)-hydrazono]-2-oxo-5,6,7,8-tetrahydro-2H-chromen-3-yl}-benzamide
SpectraBase Compound ID 1e7hW4dDy4o
InChI InChI=1S/C21H20N6O5/c1-12-18(27(30)31)19(26(2)25-12)24-23-15-9-6-10-17-14(15)11-16(21(29)32-17)22-20(28)13-7-4-3-5-8-13/h3-5,7-8,11,24H,6,9-10H2,1-2H3,(H,22,28)/b23-15+
InChIKey XEHMQEAWCURZGH-HZHRSRAPSA-N
Mol Weight 436.43 g/mol
Molecular Formula C21H20N6O5
Exact Mass 436.149518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72yFLRdnjF3
Name N-{5-[(2,5-Dimethyl-4-nitro-2H-pyrazol-3-yl)-hydrazono]-2-oxo-5,6,7,8-tetrahydro-2H-chromen-3-yl}-benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N6O5
InChI InChI=1S/C21H20N6O5/c1-12-18(27(30)31)19(26(2)25-12)24-23-15-9-6-10-17-14(15)11-16(21(29)32-17)22-20(28)13-7-4-3-5-8-13/h3-5,7-8,11,24H,6,9-10H2,1-2H3,(H,22,28)/b23-15+
InChIKey XEHMQEAWCURZGH-HZHRSRAPSA-N
Molecular Weight 436.428 g/mol
SMILES N(c1c(c(C)n[n]1C)[N+]([O-])=O)\N=C\1C=2C=C(C(OC2CCC1)=O)NC(=O)c1ccccc1
SPLASH splash10-0a4i-0900300000-596caef471586cfb5fbc
Source of Spectrum F-53-1388-10a
Wiley ID 800330