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{4-Bromo-2-[2-iodo-3-methoxycarbonylamino]propyl-3-methoxy-6-nitrophenyl}acetonitrile
SpectraBase Compound ID GcDvKYTCyxp
InChI InChI=1S/C14H15BrIN3O5/c1-23-13-10(5-8(16)7-18-14(20)24-2)9(3-4-17)12(19(21)22)6-11(13)15/h6,8H,3,5,7H2,1-2H3,(H,18,20)
InChIKey VFDIMZQPPZOBPQ-UHFFFAOYSA-N
Mol Weight 512.1 g/mol
Molecular Formula C14H15BrIN3O5
Exact Mass 510.923979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1A16EipEiag
Name {4-Bromo-2-[2-iodo-3-methoxycarbonylamino]propyl-3-methoxy-6-nitrophenyl}acetonitrile
Alternate Name(s) Methyl 3-[3-bromo-6-(cyanomethyl)-2-methoxy-5-nitrophenyl]-2-iodopropylcarbamate N-[3-[5-bromo-2-(cyanomethyl)-6-methoxy-3-nitrophenyl]-2-iodopropyl]carbamic acid methyl ester Methyl N-[3-[5-bromo-2-(cyanomethyl)-6-methoxy-3-nitrophenyl]-2-iodopropyl]carbamate Methyl N-[3-[5-bromo-2-(cyanomethyl)-6-methoxy-3-nitro-phenyl]-2-iodo-propyl]carbamate Methyl N-[3-[5-bromanyl-2-(cyanomethyl)-6-methoxy-3-nitro-phenyl]-2-iodanyl-propyl]carbamate
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Formula C14H15BrIN3O5
InChI InChI=1S/C14H15BrIN3O5/c1-23-13-10(5-8(16)7-18-14(20)24-2)9(3-4-17)12(19(21)22)6-11(13)15/h6,8H,3,5,7H2,1-2H3,(H,18,20)
InChIKey VFDIMZQPPZOBPQ-UHFFFAOYSA-N
Molecular Weight 512.098 g/mol
SMILES N(C(=O)OC)CC(Cc1c(c(N(=O)=O)cc(c1OC)Br)CC#N)I
SPLASH splash10-0006-2904000000-6e16c3c92b4f2b923f0a
Source of Spectrum F-53-210-34
Wiley ID 799859