![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](/api/spectrum/AfoUEwQio4Q/structure.png?h=300&w=458 "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
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| SpectraBase Spectrum ID | AfoUEwQio4Q |
|---|---|
| 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 | ## |
| 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 |