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N-[2-BIS-[2-[[[(2-TRICYCLO-[3.3.1.1(3,7)]-DEC-1-YLAMINO)-THIOXOMETHYL]-AMINO]-ETHYL]-4-METHOXY-BENZAMIDE
SpectraBase Compound ID BrHhmiLM2NB
InChI InChI=1S/C36H54N6O2S2/c1-44-31-4-2-30(3-5-31)32(43)37-6-9-42(10-7-38-33(45)40-35-18-24-12-25(19-35)14-26(13-24)20-35)11-8-39-34(46)41-36-21-27-15-28(22-36)17-29(16-27)23-36/h2-5,24-29H,6-23H2,1H3,(H,37,43)(H2,38,40,45)(H2,39,41,46)/t24-,25+,26-,27-,28+,29-,35-,36-
InChIKey HBAYGXILBYMQLU-TZQGQRHCSA-N
Mol Weight 667.0 g/mol
Molecular Formula C36H54N6O2S2
Exact Mass 666.374967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnWrzG5fsPd
Name N-[2-BIS-[2-[[[(2-TRICYCLO-[3.3.1.1(3,7)]-DEC-1-YLAMINO)-THIOXOMETHYL]-AMINO]-ETHYL]-4-METHOXY-BENZAMIDE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54N6O2S2
InChI InChI=1S/C36H54N6O2S2/c1-44-31-4-2-30(3-5-31)32(43)37-6-9-42(10-7-38-33(45)40-35-18-24-12-25(19-35)14-26(13-24)20-35)11-8-39-34(46)41-36-21-27-15-28(22-36)17-29(16-27)23-36/h2-5,24-29H,6-23H2,1H3,(H,37,43)(H2,38,40,45)(H2,39,41,46)/t24-,25+,26-,27-,28+,29-,35-,36-
InChIKey HBAYGXILBYMQLU-TZQGQRHCSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,W.UCHIDA,S.TAKEMURA,J.ZHOU,H.AKI,T.MIYATA, K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,60,408(2012)
Literature Reference DOI 10.1248/cpb.60.408
Molecular Weight 666.984 g/mol
Source File Reference UWBT4336