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Hematoxylin hydrate
SpectraBase Compound ID 4SicgoqTcuz
InChI InChI=1S/C16H14O6.H2O/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20;/h1-4,13,17-21H,5-6H2;1H2
InChIKey LGXJYAQCRCHDMY-UHFFFAOYSA-N
Mol Weight 320.3 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID H3uL1wfwQYe
Name Hematoxylin hydrate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number H0006
Lot Number RR2TC-RJ
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 0.270831
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 -1291
Backward Peak Location 7349
Beam Splitter Setting KBr
CAS Registry Number 517-28-2
Color Properties Beige
Container ID C-010201
Copyright Copyright © 2018-2025 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 C16H16O7
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/C16H14O6.H2O/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20;/h1-4,13,17-21H,5-6H2;1H2
InChIKey LGXJYAQCRCHDMY-UHFFFAOYSA-N
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 320.297 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1325
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 >97.0%
Relative Humidity Interferometer 0 %
Resolution 4
SKU H0006-5G
SMILES O.Oc1c(c2OCC3(Cc4cc(c(cc4C3c2cc1)O)O)O)O
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.32 s
Scanner Temperature 31.4 °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 Haematoxylin hydrate; Natural black 1 hydrate
Technique ATR-Neat
Zero Filling Factor 4