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5'-{N-[2-(3,4-Dimethoxyphenyl)ethyl]amido}methyl-2'-nitro-5-(methoxycarbonyl)methyl-2-methoxybiphenyl
SpectraBase Compound ID 1BL5yfDr4zI
InChI InChI=1S/C28H30N2O8/c1-35-24-9-6-19(13-21(24)22-14-20(17-28(32)38-4)7-10-25(22)36-2)16-27(31)29-12-11-18-5-8-23(30(33)34)26(15-18)37-3/h5-10,13-15H,11-12,16-17H2,1-4H3,(H,29,31)
InChIKey IXSUARCKLSBXSY-UHFFFAOYSA-N
Mol Weight 522.55 g/mol
Molecular Formula C28H30N2O8
Exact Mass 522.200216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIKOHyETrXc
Name 5'-{N-[2-(3,4-Dimethoxyphenyl)ethyl]amido}methyl-2'-nitro-5-(methoxycarbonyl)methyl-2-methoxybiphenyl
Alternate Name(s) 5-{N-[2-(3-methoxy-4-nitro-phenyl)ethyl]amido}methyl-2-methoxy-5'-(3-methoxycarbonyl)methyl-biphenyl
Comments Less than 3 mono-isotopic peaks
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Formula C28H30N2O8
InChI InChI=1S/C28H30N2O8/c1-35-24-9-6-19(13-21(24)22-14-20(17-28(32)38-4)7-10-25(22)36-2)16-27(31)29-12-11-18-5-8-23(30(33)34)26(15-18)37-3/h5-10,13-15H,11-12,16-17H2,1-4H3,(H,29,31)
InChIKey IXSUARCKLSBXSY-UHFFFAOYSA-N
Molecular Weight 522.554 g/mol
SMILES N(C(=O)Cc1cc(-c2c(ccc(c2)CC(=O)OC)OC)c(cc1)OC)CCc1ccc([N+]([O-])=O)c(c1)OC
SPLASH splash10-03di-0900000000-d56b8aedbe6ea5a40cf1
Source of Spectrum F-52-14743-20
Wiley ID 799586