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Esculin sesquihydrate
SpectraBase Compound ID 3TUs5Vf73mW
InChI InChI=1S/2C15H16O9.3H2O/c2*16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;;;/h2*1-4,10,12-17,19-21H,5H2;3*1H2/t2*10-,12-,13+,14-,15-;;;/m11.../s1
InChIKey LGMHQDJZWHRZPO-HPPUHPNBSA-N
Mol Weight 367.31 g/mol
Molecular Formula C15H16O9·3/2H2O
Exact Mass 367.095279 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9iz3ZYKXFvb
Name Esculin sesquihydrate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number E0024
Lot Number SASYC-IG
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 0.270599
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 -1096
Backward Peak Location 7370
Beam Splitter Setting KBr
CAS Registry Number 66778-17-4
Container ID C-010373
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 C15H19O10.5
Frequency of First Point 3998.31 cm⁻¹
Frequency of Last Point 339.461 cm⁻¹
High Folding Limit 15800.4
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/2C15H16O9.3H2O/c2*16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;;;/h2*1-4,10,12-17,19-21H,5H2;3*1H2/t2*10-,12-,13+,14-,15-;;;/m11.../s1
InChIKey LGMHQDJZWHRZPO-HPPUHPNBSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.4 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Measurement Channel Sample Compartment
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1133
Peak Amplitude 2nd Channel 1
Peak Location 7365
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >98.0%
Relative Humidity Interferometer 10 %
Resolution 4
SKU E0024-5G
SMILES O.Oc1cc2OC(\C=C/c2cc1O[C@]1([C@@]([C@]([C@@]([C@](O1)(CO)[H])(O)[H])(O)[H])(O)[H])[H])=O
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.298 s
Scanner Temperature 29.9 °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 7-Hydroxycoumarin-6-yl β-D-glucopyranoside sesquihydrate
Technique ATR-Neat
Zero Filling Factor 4