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N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-TRYPTOPHAN-METHYLESTER

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N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-TRYPTOPHAN-METHYLESTER
SpectraBase Compound ID H2lf5wPdnQe
InChI InChI=1S/2C15H18N3O4PS/c2*1-21-15(19)14(18-23(20,24)22-8-4-7-16)9-11-10-17-13-6-3-2-5-12(11)13/h2*2-3,5-6,10,14,17H,4,8-9H2,1H3,(H2,18,20,24)/p-2
InChIKey UJGBIQIVYRRNHB-UHFFFAOYSA-L
Mol Weight 732.7 g/mol
Molecular Formula C30H34N6O8P2S2
Exact Mass 732.135478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hgk5Fepe7JT
Name N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-TRYPTOPHAN-METHYLESTER
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34N6O8P2S2
InChI InChI=1S/2C15H18N3O4PS/c2*1-21-15(19)14(18-23(20,24)22-8-4-7-16)9-11-10-17-13-6-3-2-5-12(11)13/h2*2-3,5-6,10,14,17H,4,8-9H2,1H3,(H2,18,20,24)/p-2
InChIKey UJGBIQIVYRRNHB-UHFFFAOYSA-L
Literature Reference Author J.BARANIAK,R.KACZMAREK,D.KORCZYNSKI,E.WASILEWSKA
Literature Reference Citation J.ORG.CHEM.,67,7267(2002)
Literature Reference DOI 10.1021/jo026027d
Molecular Weight 732.703 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWSI22237