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N-(5-{1-[(2,4-Dinitrophenyl)hydrazono]ethyl}-6-methyl-2-oxo-2H-pyran-3-yl)benzamide
SpectraBase Compound ID IKToQFsWtkY
InChI InChI=1S/C21H17N5O7/c1-12(23-24-17-9-8-15(25(29)30)10-19(17)26(31)32)16-11-18(21(28)33-13(16)2)22-20(27)14-6-4-3-5-7-14/h3-11,24H,1-2H3,(H,22,27)/b23-12+
InChIKey BNRLZMYFWQHWRI-FSJBWODESA-N
Mol Weight 451.4 g/mol
Molecular Formula C21H17N5O7
Exact Mass 451.112798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HbWNBHi3VM
Name N-(5-{1-[(2,4-Dinitrophenyl)hydrazono]ethyl}-6-methyl-2-oxo-2H-pyran-3-yl)benzamide
Alternate Name(s) N-{5-[(1E)-N-(2,4-dinitrophenyl)ethanehydrazonoyl]-6-methyl-2-oxo-2H-pyran-3-yl}benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O7
InChI InChI=1S/C21H17N5O7/c1-12(23-24-17-9-8-15(25(29)30)10-19(17)26(31)32)16-11-18(21(28)33-13(16)2)22-20(27)14-6-4-3-5-7-14/h3-11,24H,1-2H3,(H,22,27)/b23-12+
InChIKey BNRLZMYFWQHWRI-FSJBWODESA-N
Molecular Weight 451.395 g/mol
SMILES N(C(c1ccccc1)=O)C1=CC(\C(=N\Nc2c(cc(cc2)N(=O)=O)N(=O)=O)C)=C(OC1=O)C
SPLASH splash10-0a4i-0900000000-e168dafdb707fc0c5ac1
Source of Spectrum O1-61-110-3
Wiley ID 1592333