| SpectraBase Compound ID | 3csstxSlP99 |
|---|---|
| InChI | InChI=1S/C25H35N5O6/c1-3-16-22(33)29-19(14-31)23(34)28-18(15-9-6-5-7-10-15)13-21(32)26-17(4-2)25(36)30-12-8-11-20(30)24(35)27-16/h5-7,9-10,16-20,31H,3-4,8,11-14H2,1-2H3,(H,26,32)(H,27,35)(H,28,34)(H,29,33)/t16-,17+,18+,19-,20-/m0/s1 |
| InChIKey | QVPGTVRJQRWWFX-MDMHHNQBSA-N |
| Mol Weight | 501.6 g/mol |
| Molecular Formula | C25H35N5O6 |
| Exact Mass | 501.258734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ZdRW09d4Q4 |
|---|---|
| Name | ASTIN-G |
| Compound Number | 2 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C25H35N5O6/c1-3-16-22(33)29-19(14-31)23(34)28-18(15-9-6-5-7-10-15)13-21(32)26-17(4-2)25(36)30-12-8-11-20(30)24(35)27-16/h5-7,9-10,16-20,31H,3-4,8,11-14H2,1-2H3,(H,26,32)(H,27,35)(H,28,34)(H,29,33)/t16-,17+,18+,19-,20-/m0/s1 |
| InChIKey | QVPGTVRJQRWWFX-MDMHHNQBSA-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 |