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4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid
SpectraBase Compound ID W59MRmffxJ
InChI InChI=1S/C10H13NO5S/c1-3-17(14,15)9-4-6(10(12)13)8(16-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKey OJVNCXHGGYYOPH-UHFFFAOYSA-N
Mol Weight 259.28 g/mol
Molecular Formula C10H13NO5S
Exact Mass 259.051444 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IQQYYLtl4UH
Name 4-Amino-5-(ethylsulfonyl)-2-methoxybenzoic acid
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number A2615
Lot Number HDF3O-IC
Accessory TRANS *14560FA0
Acquisition Mode double sided, forward-backward
Actual Signal Gain 2
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 0
Analog Signal 1 0.270229
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 Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -9951
Backward Peak Location 14479
Beam Splitter Setting KBr
CAS Registry Number 71675-87-1
Container ID C-009526
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 0 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C10H13NO5S
Frequency of First Point 3999.54 cm⁻¹
Frequency of Last Point 339.945 cm⁻¹
High Folding Limit 15800.5
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C10H13NO5S/c1-3-17(14,15)9-4-6(10(12)13)8(16-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKey OJVNCXHGGYYOPH-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
KBr Capsule ID K-04793
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -9892
Peak Amplitude 2nd Channel 1
Peak Location 14476
Peak Location 2nd Channel 1
Pellet ID P-04543
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 20 %
Resolution 2
SKU A2615-1G
SMILES Nc1cc(c(C(O)=O)cc1S(=O)(=O)CC)OC
Sample Capsule ID S-04793
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.05 s
Scanner Temperature 26.6 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Technique KBr1
Zero Filling Factor 8