| SpectraBase Compound ID | LMQ5tDhjkpG |
|---|---|
| InChI | InChI=1S/2C21H29N3O7S/c2*25-17(14-32-20-6-2-4-11-31-20)24-16(9-12-30-19(28)8-7-18(26)27)21(29)23-13-15-5-1-3-10-22-15/h2*1,3,5,10,16,20H,2,4,6-9,11-14H2,(H,23,29)(H,24,25)(H,26,27) |
| InChIKey | RXQKSGXJAUZQEW-UHFFFAOYSA-N |
| Mol Weight | 935.07 g/mol |
| Molecular Formula | C42H58N6O14S2 |
| Exact Mass | 934.345243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1b10VvDeh2c |
|---|---|
| Name | RXQKSGXJAUZQEW-UHFFFAOYSA-N |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58N6O14S2 |
| InChI | InChI=1S/2C21H29N3O7S/c2*25-17(14-32-20-6-2-4-11-31-20)24-16(9-12-30-19(28)8-7-18(26)27)21(29)23-13-15-5-1-3-10-22-15/h2*1,3,5,10,16,20H,2,4,6-9,11-14H2,(H,23,29)(H,24,25)(H,26,27) |
| InChIKey | RXQKSGXJAUZQEW-UHFFFAOYSA-N |
| Literature Reference Author | R.RAJAGOPALAN,R.R.KUNTZ,U.SHARMA,W.A.VOLKERT,R.S.PANDURANGI |
| Literature Reference Citation | J.ORG.CHEM.,67,6748(2002) |
| Literature Reference DOI | 10.1021/jo010782u |
| Molecular Weight | 935.074 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI22075 |