| SpectraBase Compound ID | 1OHckgl2pOf |
|---|---|
| InChI | InChI=1S/C25H34ClN5O6/c1-3-16-22(34)30-19(13-32)23(35)29-18(14-8-6-5-7-9-14)12-20(33)27-17(4-2)25(37)31-11-10-15(26)21(31)24(36)28-16/h5-9,15-19,21,32H,3-4,10-13H2,1-2H3,(H,27,33)(H,28,36)(H,29,35)(H,30,34)/t15-,16+,17-,18-,19+,21+/m0/s1 |
| InChIKey | JLMKQGQKGRLZFA-ZEASFCQMSA-N |
| Mol Weight | 536.0 g/mol |
| Molecular Formula | C25H34ClN5O6 |
| Exact Mass | 535.219762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vfRmwsC7Z2 |
|---|---|
| Name | ASTIN-F |
| Compound Number | 1 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C25H34ClN5O6/c1-3-16-22(34)30-19(13-32)23(35)29-18(14-8-6-5-7-9-14)12-20(33)27-17(4-2)25(37)31-11-10-15(26)21(31)24(36)28-16/h5-9,15-19,21,32H,3-4,10-13H2,1-2H3,(H,27,33)(H,28,36)(H,29,35)(H,30,34)/t15-,16+,17-,18-,19+,21+/m0/s1 |
| InChIKey | JLMKQGQKGRLZFA-ZEASFCQMSA-N |
| Literature Reference | H.MORITA,S.NAGASHIMA,K.TAKEYA,H.ITOKAWA HETEROCYCLES,38,2247(1994) |
| Solvent | Dimethyl sulfoxide-d6 |
| Technique | SELECTIVE DECOUPLING; C/H SHIFT CORRELATION |