| SpectraBase Compound ID | EqCDbRBzGVO |
|---|---|
| InChI | InChI=1S/C23H28Cl3N3O.2Cl.O/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);;; |
| InChIKey | FFYNGQWKORWQRJ-UHFFFAOYSA-N |
| Mol Weight | 555.76 g/mol |
| Molecular Formula | C23H28Cl5N3O2 |
| Exact Mass | 553.062416 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | D8xRMAYXEC |
|---|---|
| Name | Quinacrine mustard dihydrochloride hydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 360392 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28Cl5N3O2 |
| InChI | InChI=1S/C23H28Cl3N3O.2Cl.O/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23;;;/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28);;; |
| InChIKey | FFYNGQWKORWQRJ-UHFFFAOYSA-N |
| Molecular Weight | 555.761 g/mol |
| Observed nucleus | 13C |
| Solvent | Methanol-d4 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_013914 |