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_id
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Fvog3HLed2C
spectrumID
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Fvog3HLed2C
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analyticalTechnique
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1H NMR
analyticalTechniqueLongName
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1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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C.I. Direct Blue 53, tetrasodium salt
SpectraBase Compound ID 4mEULbBCR6R
InChI InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;
InChIKey ATNOAWAQFYGAOY-GPTZEZBUSA-J
Mol Weight 960.79307713 g/mol
Molecular Formula C34H24N6Na4O14S4
Exact Mass 959.982411 g/mol
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1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fvog3HLed2C
Name C.I. Direct Blue 53, tetrasodium salt
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H24N6Na4O14S4
InChI InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37+,40-38+;;;;
InChIKey ATNOAWAQFYGAOY-GPTZEZBUSA-J
Instrument Name Varian CFT-20
Sadtler NMR Number 41565M
Solvent D2O/NaOD
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