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3-(1'-GERMA-5'-AZA-2',8',9'-TRITHIABICYCLOUNDECYL)-2-METHYL-3-PHENYLPROPANOIC-ACID;ISOMER-#1
SpectraBase Compound ID A6aDi6SOEXG
InChI InChI=1S/C16H23GeNO2S3/c1-13(16(19)20)15(14-5-3-2-4-6-14)17-21-10-7-18(8-11-22-17)9-12-23-17/h2-6,13,15H,7-12H2,1H3,(H,19,20)
InChIKey SKYLYVRNGGSEOI-UHFFFAOYSA-N
Mol Weight 430.18 g/mol
Molecular Formula C16H23GeNO2S3
Exact Mass 431.01027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEt0Nk63KgQ
Name 3-(1'-GERMA-5'-AZA-2',8',9'-TRITHIABICYCLOUNDECYL)-2-METHYL-3-PHENYLPROPANOIC-ACID;ISOMER-#2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23GeNO2S3
InChI InChI=1S/C16H23GeNO2S3/c1-13(16(19)20)15(14-5-3-2-4-6-14)17-21-10-7-18(8-11-22-17)9-12-23-17/h2-6,13,15H,7-12H2,1H3,(H,19,20)
InChIKey SKYLYVRNGGSEOI-UHFFFAOYSA-N
Literature Reference Author N.KAKIMOTO,K.SATO,M.MATSUI,T.TAKADA,M.AKIBA
Literature Reference Citation HETEROCYCLES,24,3047(1986)
Literature Reference DOI 10.3987/R-1986-11-3047
Molecular Weight 430.134 g/mol
Solvent DMSO-D6
Source File Reference UWED12397