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Quinacrine mustard dihydrochloride hydrate
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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JOxOltbzQea
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 1H
Solvent Methanol-d4
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_013810