| SpectraBase Compound ID | 2rISiGCwHd9 |
|---|---|
| InChI | InChI=1S/C35H36N4O5S2/c1-2-44-33(43)20-21-36-34(45)38-28-18-19-30(40)29(22-28)39-31(41)23-37-32(42)24-46-35(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-19,22,40H,2,20-21,23-24H2,1H3,(H,37,42)(H,39,41)(H2,36,38,45) |
| InChIKey | OXSSMHOIFCKZAY-UHFFFAOYSA-N |
| Mol Weight | 656.8 g/mol |
| Molecular Formula | C35H36N4O5S2 |
| Exact Mass | 656.212713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B6OKMgLjNkA |
|---|---|
| Name | (BETA-ALANINE)-ON2S-(TRIPHENYLMETHYLTHIO) |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H36N4O5S2 |
| InChI | InChI=1S/C35H36N4O5S2/c1-2-44-33(43)20-21-36-34(45)38-28-18-19-30(40)29(22-28)39-31(41)23-37-32(42)24-46-35(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-19,22,40H,2,20-21,23-24H2,1H3,(H,37,42)(H,39,41)(H2,36,38,45) |
| InChIKey | OXSSMHOIFCKZAY-UHFFFAOYSA-N |
| Literature Reference Author | J.L.GAL,E.BENOIST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,1483(2006) |
| Molecular Weight | 656.815 g/mol |
| Sample ID | 32014 |
| Solvent | CDCl3 |