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PARA-NITROBENZYL-2-[3'-ALLYLTHIO)-2'-PHENOXYACETYLAMINO)-PROPIONYLAMINO]-3-METHYLBUT-2-ENOATE

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PARA-NITROBENZYL-2-[3'-ALLYLTHIO)-2'-PHENOXYACETYLAMINO)-PROPIONYLAMINO]-3-METHYLBUT-2-ENOATE
SpectraBase Compound ID AsF6629xOFC
InChI InChI=1S/C26H29N3O7S/c1-4-14-37-17-22(27-23(30)16-35-21-8-6-5-7-9-21)25(31)28-24(18(2)3)26(32)36-15-19-10-12-20(13-11-19)29(33)34/h4-13,22H,1,14-17H2,2-3H3,(H,27,30)(H,28,31)
InChIKey KAANATBIQMHISF-UHFFFAOYSA-N
Mol Weight 527.59 g/mol
Molecular Formula C26H29N3O7S
Exact Mass 527.172621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SwWShMep4z
Name PARA-NITROBENZYL-2-[3'-ALLYLTHIO)-2'-PHENOXYACETYLAMINO)-PROPIONYLAMINO]-3-METHYLBUT-2-ENOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H29N3O7S
InChI InChI=1S/C26H29N3O7S/c1-4-14-37-17-22(27-23(30)16-35-21-8-6-5-7-9-21)25(31)28-24(18(2)3)26(32)36-15-19-10-12-20(13-11-19)29(33)34/h4-13,22H,1,14-17H2,2-3H3,(H,27,30)(H,28,31)
InChIKey KAANATBIQMHISF-UHFFFAOYSA-N
Literature Reference Author M.DAVIS,W.Y.WU
Literature Reference Citation AUSTR.J.CHEM.,41,1591(1988)
Literature Reference DOI 10.1071/ch9881591
Molecular Weight 527.592 g/mol
Solvent CDCl3
Source File Reference UWWR1371