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Diethyl .alpha.-(2-Bromobutoylamino)-3,4-methylenedioxybenzylphosphonate isomer
SpectraBase Compound ID HAetdBNhbaD
InChI InChI=1S/C16H23BrNO6P/c1-4-12(17)15(19)18-16(25(20,23-5-2)24-6-3)11-7-8-13-14(9-11)22-10-21-13/h7-9,12,16H,4-6,10H2,1-3H3,(H,18,19)
InChIKey UEXJUEAPHINJPW-UHFFFAOYSA-N
Mol Weight 436.24 g/mol
Molecular Formula C16H23BrNO6P
Exact Mass 435.044637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FETqjpH6QKb
Name Diethyl .alpha.-(2-Bromobutoylamino)-3,4-methylenedioxybenzylphosphonate isomer
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Formula C16H23BrNO6P
InChI InChI=1S/C16H23BrNO6P/c1-4-12(17)15(19)18-16(25(20,23-5-2)24-6-3)11-7-8-13-14(9-11)22-10-21-13/h7-9,12,16H,4-6,10H2,1-3H3,(H,18,19)
InChIKey UEXJUEAPHINJPW-UHFFFAOYSA-N
Molecular Weight 436.239 g/mol
SMILES N(C(P(=O)(OCC)OCC)c1cc2OCOc2cc1)C(=O)C(Br)CC
SPLASH splash10-0udi-0930300000-4f18210a46a24f33bd31
Source of Spectrum SO-0-1125-1
Synonyms Diethyl .alpha.-(2-Bromobutoylamino)-3,4-methylenedioxybenzylphosphonate Diethyl 1,3-benzodioxol-5-yl[(2-bromobutanoyl)amino]methylphosphonate
Wiley ID 1543715