| SpectraBase Compound ID | LOuEt5LqwI2 |
|---|---|
| InChI | InChI=1S/C35H35N5O4S/c1-43-30-20-28-29(21-31(30)44-2)39-24-40-34(28)37-19-18-36-32(41)22-38-33(42)23-45-35(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,20-21,24H,18-19,22-23H2,1-2H3,(H,36,41)(H,38,42)(H,37,39,40) |
| InChIKey | XAKZLTAJWSDVMW-UHFFFAOYSA-N |
| Mol Weight | 621.8 g/mol |
| Molecular Formula | C35H35N5O4S |
| Exact Mass | 621.240976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GRgvmwAmfZf |
|---|---|
| Name | TR-MAG-ADMQ |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H35N5O4S |
| InChI | InChI=1S/C35H35N5O4S/c1-43-30-20-28-29(21-31(30)44-2)39-24-40-34(28)37-19-18-36-32(41)22-38-33(42)23-45-35(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,20-21,24H,18-19,22-23H2,1-2H3,(H,36,41)(H,38,42)(H,37,39,40) |
| InChIKey | XAKZLTAJWSDVMW-UHFFFAOYSA-N |
| Literature Reference Author | M.ZHAO,H.NING,M.FENG,S.LI,J.CHANG,C.QI |
| Literature Reference Citation | MOLECULES,19,5508(2014) |
| Literature Reference DOI | 10.3390/molecules19055508 |
| Molecular Weight | 621.754 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWIR14417 |