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Acenocoumarol breakdown (191)
SpectraBase Compound ID 6iGM3Kwdw7g
InChI InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
InChIKey VABCILAOYCMVPS-UHFFFAOYSA-N
Mol Weight 353.33 g/mol
Molecular Formula C19H15NO6
Exact Mass 353.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CE5Kii6zRFX
Name 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
Alternate Name(s) 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]- 3-(.alpha.-(p-Nitrophenol)-.beta.-acetylethyl)-4-hydroxycoumarin 3-(.alpha.-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin 3-(.alpha.-Acetonyl-p-nitrobenzyl)-4-hydroxy-coumarin 3-(.alpha.-p-Nitrophenyl-.beta.-acetylethyl)-4-hydroxycoumarin 4-Hydroxy-3-(1-(4-nitrophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one Acenocoumarin Acenocoumarol Acenocoumarolum Acenocumarol Acenocumarolo Acenocumarolum Acenokumarin Ascumar Coumarin, 3-(.alpha.-acetonyl-p-nitrobenzyl)-4-hydroxy- G-23,350 Minisintrom Neositron Nicoumalone Nicumalon Nitrophenylacetylethyl-4-hydroxycoumarine Nitrovarfarian Nitrowarfarin Sincoumar Sinkumar Sinthrom Sinthrome Sintrom Sintroma Syncoumar Syncumar Syntrom ZOTIL 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-1-benzopyran-2-one 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one 4-Hydroxy-3-[1-(4-nitrophenyl)-3-oxo-butyl]chromen-2-one 3-[1-(4-nitrophenyl)-3-oxidanylidene-butyl]-4-oxidanyl-chromen-2-one EINECS 205-807-3 HSDB 3201
CAS Registry Number 152-72-7
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Formula C19H15NO6
InChI InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
InChIKey VABCILAOYCMVPS-UHFFFAOYSA-N
Molecular Weight 353.330 g/mol
SMILES OC1=C(C(Oc2c1cccc2)=O)C(c1ccc(N(=O)=O)cc1)CC(=O)C
SPLASH splash10-03di-3219000000-1cc1c2def4dc839fb449
Source of Spectrum JZ-1992-1795-0
Wiley ID 1343903