| SpectraBase Compound ID | JAbPmOJvp71 |
|---|---|
| InChI | InChI=1S/C42H36N2O4/c45-37(39(47)43-41(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)38(46)40(48)44-42(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-38,45-46H,(H,43,47)(H,44,48) |
| InChIKey | ULPKVLLSOAIUEQ-UHFFFAOYSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C42H36N2O4 |
| Exact Mass | 632.267508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pIKMxLUKeV |
|---|---|
| Name | N,N'-Ditrityltartaramide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 632.267507643 u |
| Formula | C42H36N2O4 |
| InChI | InChI=1S/C42H36N2O4/c45-37(39(47)43-41(31-19-7-1-8-20-31,32-21-9-2-10-22-32)33-23-11-3-12-24-33)38(46)40(48)44-42(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,37-38,45-46H,(H,43,47)(H,44,48) |
| InChIKey | ULPKVLLSOAIUEQ-UHFFFAOYSA-N |
| Molecular Weight | 632.760 g/mol |
| SMILES | C(C(C(C(NC(C=1C=CC=CC1)(C1=CC=CC=C1)C1=CC=CC=C1)=O)O)O)(NC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)=O |