| SpectraBase Compound ID | IHawY2YYgxk |
|---|---|
| InChI | InChI=1S/C25H33Cl2N5O5S/c1-3-15-22(35)30-18(12-33)24(38)31-17(13-8-6-5-7-9-13)10-19(34)28-16(4-2)25(37)32-11-14(26)20(27)21(32)23(36)29-15/h5-9,14-18,20-21,33H,3-4,10-12H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,38)/t14-,15+,16-,17-,18+,20-,21+/m1/s1 |
| InChIKey | CDBINRYFYZTKCL-PKSDNKBDSA-N |
| Mol Weight | 586.5 g/mol |
| Molecular Formula | C25H33Cl2N5O5S |
| Exact Mass | 585.157946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFTtq4IKpoG |
|---|---|
| Name | THIOASTIN-C |
| Compound Number | 6 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C25H33Cl2N5O5S/c1-3-15-22(35)30-18(12-33)24(38)31-17(13-8-6-5-7-9-13)10-19(34)28-16(4-2)25(37)32-11-14(26)20(27)21(32)23(36)29-15/h5-9,14-18,20-21,33H,3-4,10-12H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,38)/t14-,15+,16-,17-,18+,20-,21+/m1/s1 |
| InChIKey | CDBINRYFYZTKCL-PKSDNKBDSA-N |
| Literature Reference | H.MORITA,S.NAGASHIMA,K.TAKEYA,H.ITOKAWA J.CHEM.SOC.PERKIN-1,2327(1995) |
| Solvent | Dimethyl sulfoxide-d6 |
| Technique | SELECTIVE DECOUPLING; C/H SHIFT CORRELATION |