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3-[N-(2-Methyl-1,3-dioxolan-2-ylmethyl)-N-methylaminomethylene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
SpectraBase Compound ID ItxO7KALnz5
InChI InChI=1S/C16H17NO5/c1-16(20-7-8-21-16)10-17(2)9-12-14(18)11-5-3-4-6-13(11)22-15(12)19/h3-6,9H,7-8,10H2,1-2H3/b12-9-
InChIKey XTDHLBKCASKZPM-XFXZXTDPSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UrWhc71NrM
Name 3-[N-(2-Methyl-1,3-dioxolan-2-ylmethyl)-N-methylaminomethylene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
Comments Less than 3 mono-isotopic peaks
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Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-16(20-7-8-21-16)10-17(2)9-12-14(18)11-5-3-4-6-13(11)22-15(12)19/h3-6,9H,7-8,10H2,1-2H3/b12-9-
InChIKey XTDHLBKCASKZPM-XFXZXTDPSA-N
Molecular Weight 303.314 g/mol
SMILES C1(\C(C(c2c(O1)cccc2)=O)=C/N(CC1(OCCO1)C)C)=O
SPLASH splash10-000i-9000000000-55008d87b1cfaef09dcf
Source of Spectrum SO-0-1946-7
Synonyms (3Z)-3-({methyl[(2-methyl-1,3-dioxolan-2-yl)methyl]amino}methylene)-2H-chromene-2,4(3H)-dione
Wiley ID 878811