| SpectraBase Compound ID | CG9yWieFyFn |
|---|---|
| InChI | InChI=1S/C33H33N2O2PS/c36-32(35-23-13-22-30(35)33(37)34-25-26-14-5-1-6-15-26)24-31(27-16-7-2-8-17-27)38(39,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,30-31H,13,22-25H2,(H,34,37)/t30-,31+/m0/s1 |
| InChIKey | XKIJTPRBSKYPFR-IOWSJCHKSA-N |
| Mol Weight | 552.7 g/mol |
| Molecular Formula | C33H33N2O2PS |
| Exact Mass | 552.200036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgphVPuKkFl |
|---|---|
| Name | Major-isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 552.200036481 u |
| Formula | C33H33N2O2PS |
| InChI | InChI=1S/C33H33N2O2PS/c36-32(35-23-13-22-30(35)33(37)34-25-26-14-5-1-6-15-26)24-31(27-16-7-2-8-17-27)38(39,28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,30-31H,13,22-25H2,(H,34,37)/t30-,31+/m0/s1 |
| InChIKey | XKIJTPRBSKYPFR-IOWSJCHKSA-N |
| Molecular Weight | 552.673 g/mol |
| SMILES | C1(P(=S)(C2=CC=CC=C2)[C@@](C2=CC=CC=C2)(CC(=O)N2[C@@](CCC2)(C(=O)NCC2=CC=CC=C2)[H])[H])=CC=CC=C1 |