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[4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino](1''-hydroxyethyl)methyl}carboxylate
SpectraBase Compound ID JwD5IujyTQY
InChI InChI=1S/C26H29N3O8/c1-4-35-24(32)21(25(33)36-5-2)15-27-23(17(3)30)26(34)37-16-22(31)18-11-13-20(14-12-18)29-28-19-9-7-6-8-10-19/h6-15,17,23,27,30H,4-5,16H2,1-3H3/b29-28+
InChIKey IWHSVSRLLIDIHP-ZQHSETAFSA-N
Mol Weight 511.53 g/mol
Molecular Formula C26H29N3O8
Exact Mass 511.195465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWmftYOgAin
Name [4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino](1''-hydroxyethyl)methyl}carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 511.195464898 u
Formula C26H29N3O8
InChI InChI=1S/C26H29N3O8/c1-4-35-24(32)21(25(33)36-5-2)15-27-23(17(3)30)26(34)37-16-22(31)18-11-13-20(14-12-18)29-28-19-9-7-6-8-10-19/h6-15,17,23,27,30H,4-5,16H2,1-3H3/b29-28+
InChIKey IWHSVSRLLIDIHP-ZQHSETAFSA-N
Molecular Weight 511.531 g/mol
SMILES C(=CNC(C(OCC(C=1C=CC(\N=N\C2=CC=CC=C2)=CC1)=O)=O)C(O)C)(C(=O)OCC)C(=O)OCC