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Trisodium 2-(4-sulfophenylazo)-1,8-dihydroxynaphthalene-3,6-disulfonate hydrate
SpectraBase Compound ID 3n8Ncw6QqKl
InChI InChI=1S/C16H12N2O11S3.3Na.H2O/c19-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)18-17-9-1-3-10(4-2-9)30(21,22)23;;;;/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;;1H2/q;3*+1;/p-3/b18-17+;;;;
InChIKey KYGSCPLFMBZEHO-MJCKVQKWSA-K
Mol Weight 588.415 g/mol
Molecular Formula C16H11N2Na3O12S3
Exact Mass 587.91672 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID JdqBmInUjqs
Name Trisodium 2-(4-sulfophenylazo)-1,8-dihydroxynaphthalene-3,6-disulfonate hydrate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number D0604
Lot Number GL01-K0KD
Accessory DuraSample IR #145404C7
Acquisition Mode double sided, forward-backward
Actual Signal Gain 16
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.270631
Analog Signal 2 0
Aperture Setting 6 mm
Apodization Function Norton-Beer, medium
Background Measurement Channel Sample Compartment
Background Peak Amplitude 2nd Channel 1
Background Peak Location 2nd Channel 1
Background Rotations 32
Background Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -1263
Backward Peak Location 7348
Beam Splitter Setting KBr
CAS Registry Number 23647-14-5
Color Properties Dark red
Container ID C-010273
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 1 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C16H11N2Na3O12S3
Frequency of First Point 3998.29 cm⁻¹
Frequency of Last Point 339.459 cm⁻¹
High Folding Limit 15800.3
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C16H12N2O11S3.3Na.H2O/c19-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)18-17-9-1-3-10(4-2-9)30(21,22)23;;;;/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;;1H2/q;3*+1;/p-3/b18-17+;;;;
InChIKey KYGSCPLFMBZEHO-MJCKVQKWSA-K
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.3 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Measurement Channel Sample Compartment
Molecular Weight 588.415 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1284
Peak Amplitude 2nd Channel 1
Peak Location 7387
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >95.0%
Relative Humidity Interferometer 0 %
Resolution 4
SKU D0604-5G
SMILES [Na+].Oc1c2c(cc(cc2cc(c1\N=N\c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].O
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.328 s
Scanner Temperature 28.9 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Signal Gain, Sample automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 1,8-Dihydroxy-2-(4-sulfophenylazo)naphthalene-3,6-disulfonic acid trisodium salt hydrate; 4,5-Dihydroxy-3-(4-sulfophenylazo)-2,7-naphthalenedisulfonic acid trisodium salt hydrate
Technique ATR-Neat
Zero Filling Factor 4