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3-METHYLTHIO-3-{1-METHYL-2-[5-(3-FURYL)-4-PENTEN-2-YL]-1,2,5,6-TETRAHYDROPYRID-5-YL}-8-METHYL-10-(3-FURYL)-1-AZABICYCLO[4.4.0]DECANE
SpectraBase Compound ID E9JW6ssoPnk
InChI InChI=1S/C32H46N2O2S/c1-24(6-5-7-26-13-16-35-20-26)29-11-9-27(19-33(29)3)18-32(23-37-4)15-12-30-25(2)8-10-31(34(30)22-32)28-14-17-36-21-28/h5,7,9,13-14,16-17,20-21,24-25,29-31H,6,8,10-12,15,18-19,22-23H2,1-4H3/b7-5+/t24-,25?,29?,30?,31?,32?/m0/s1
InChIKey FCYBSJYEEDVVJJ-YZZINQFASA-N
Mol Weight 522.8 g/mol
Molecular Formula C32H46N2O2S
Exact Mass 522.328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1In7tAom3dg
Name 3-METHYLTHIO-3-{1-METHYL-2-[5-(3-FURYL)-4-PENTEN-2-YL]-1,2,5,6-TETRAHYDROPYRID-5-YL}-8-METHYL-10-(3-FURYL)-1-AZABICYCLO[4.4.0]DECANE
Comments bH
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H46N2O2S
InChI InChI=1S/C32H46N2O2S/c1-24(6-5-7-26-13-16-35-20-26)29-11-9-27(19-33(29)3)18-32(23-37-4)15-12-30-25(2)8-10-31(34(30)22-32)28-14-17-36-21-28/h5,7,9,13-14,16-17,20-21,24-25,29-31H,6,8,10-12,15,18-19,22-23H2,1-4H3/b7-5+/t24-,25?,29?,30?,31?,32?/m0/s1
InChIKey FCYBSJYEEDVVJJ-YZZINQFASA-N
Instrument Name Jeol FX-90
Literature Reference J.WROBEL, A.SCHOLL-ALEKSANDROWICZ, J.CYBULSKI, K.WOJTASIEWICZ (1989)Coll.Czech.Chem.Comm.: v.54, N8, 2229-2239.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d