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3,6-Diaminoacridine, hemisulfate, hemihydrate

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3,6-Diaminoacridine, hemisulfate, hemihydrate
SpectraBase Compound ID 8pjHbwgntEe
InChI InChI=1S/2C13H11N3.H2O4S.H2O/c2*14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4;/h2*1-7H,14-15H2;(H2,1,2,3,4);1H2
InChIKey DTRLDKDFCPUGCA-UHFFFAOYSA-N
Mol Weight 267.296 g/mol
Molecular Formula C13H11N3·½H2O4S·½H2O
Exact Mass 267.08427 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0wR179WgPU
Name 3,6-Diaminoacridine, hemisulfate, hemihydrate
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
CAS Registry Number 1811-28-5
Comments NH2 unobserved
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N6O5S
InChI InChI=1S/2C13H11N3.H2O4S.H2O/c2*14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4;/h2*1-7H,14-15H2;(H2,1,2,3,4);1H2
InChIKey DTRLDKDFCPUGCA-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 2255M
Solvent TFA
Synonyms Proflavine E