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3-(5-bromo-4-methyl-6-oxo-2-pyranyl)indolizine-1,2-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 18ruQU9UkRz
InChI InChI=1S/C18H14BrNO6/c1-9-8-11(26-18(23)14(9)19)15-13(17(22)25-3)12(16(21)24-2)10-6-4-5-7-20(10)15/h4-8H,1-3H3
InChIKey PUPXZBBEBBCIRE-UHFFFAOYSA-N
Mol Weight 420.22 g/mol
Molecular Formula C18H14BrNO6
Exact Mass 419.00045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTWCxjH01KC
Name 3-(5-bromo-4-methyl-6-oxo-2-pyranyl)indolizine-1,2-dicarboxylic acid dimethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C18H14BrNO6
InChI InChI=1S/C18H14BrNO6/c1-9-8-11(26-18(23)14(9)19)15-13(17(22)25-3)12(16(21)24-2)10-6-4-5-7-20(10)15/h4-8H,1-3H3
InChIKey PUPXZBBEBBCIRE-UHFFFAOYSA-N
Molecular Weight 420.215 g/mol
SMILES c1(c(c2C=CC=C[n]2c1C=1OC(=O)C(=C(C1)C)Br)C(=O)OC)C(=O)OC
SPLASH splash10-00xr-0000900000-d29c897419c05d0d0d14
Source of Spectrum Y-28-1833-6
Synonyms 3-(5-bromo-6-keto-4-methyl-pyran-2-yl)indolizine-1,2-dicarboxylic acid dimethyl ester dimethyl 3-(5-bromanyl-4-methyl-6-oxidanylidene-pyran-2-yl)indolizine-1,2-dicarboxylate dimethyl 3-(5-bromo-4-methyl-6-oxo-pyran-2-yl)indolizine-1,2-dicarboxylate
Wiley ID 1377541