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3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-N-[2-(3-bromanyl-4-oxidanyl-phenyl)ethyl]-2-oxidanyl-propanamide
SpectraBase Compound ID LhrAV8W1LCx
InChI InChI=1S/C17H16Br3NO4/c18-11-5-9(1-2-14(11)22)3-4-21-17(25)15(23)8-10-6-12(19)16(24)13(20)7-10/h1-2,5-7,15,22-24H,3-4,8H2,(H,21,25)
InChIKey JCPIPPTTWCBNQY-UHFFFAOYSA-N
Mol Weight 538.03 g/mol
Molecular Formula C17H16Br3NO4
Exact Mass 534.862947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LN8EMhsdmWO
Name 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-N-[2-(3-bromanyl-4-oxidanyl-phenyl)ethyl]-2-oxidanyl-propanamide
Alternate Name(s) N-[2-(3-bromo-4-hydroxy-phenyl)ethyl]-3-(3,5-dibromo-4-hydroxy-phenyl)-2-hydroxy-propanamide N-[2-(3-bromo-4-hydroxy-phenyl)ethyl]-3-(3,5-dibromo-4-hydroxy-phenyl)-2-hydroxy-propionamide
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Formula C17H16Br3NO4
InChI InChI=1S/C17H16Br3NO4/c18-11-5-9(1-2-14(11)22)3-4-21-17(25)15(23)8-10-6-12(19)16(24)13(20)7-10/h1-2,5-7,15,22-24H,3-4,8H2,(H,21,25)
InChIKey JCPIPPTTWCBNQY-UHFFFAOYSA-N
Molecular Weight 538.030 g/mol
SMILES N(C(C(Cc1cc(c(c(c1)Br)O)Br)O)=O)CCc1ccc(c(c1)Br)O
SPLASH splash10-0f6t-0970000000-3d613c02b196a2d726b1
Source of Spectrum G4-59-932-13
Wiley ID 1606474