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Alloxantin dihydrate
SpectraBase Compound ID 5cWXg6Glu0L
InChI InChI=1S/C8H6N4O8.2H2O/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16;;/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18);2*1H2
InChIKey BFMIJRCCNVNSBS-UHFFFAOYSA-N
Mol Weight 322.19 g/mol
Molecular Formula C8H10N4O10
Exact Mass 322.039693 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CEX9mWCf2qW
Name Alloxantin dihydrate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number A0225
Lot Number RHFIC-FT
Acquisition Mode double sided, forward-backward
Actual Signal Gain 2
Additional Data Treatment 1
Aperture Setting 2.5 mm
Apodization Function Norton-Beer, medium
Backward Peak Amplitude 1479
Backward Peak Location 28691
Beam Splitter Setting Quartz
CAS Registry Number 6011-27-4
Calibration Lamp Spectrum Correction.0
Color Properties White
Container ID C-009591
Copyright Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 15 s
Detector Setting LN-Ge Diode [Internal Pos.2]
End Frequency Limit for File 9394.3
External Analog Signals Off
External Synchronization Off
Focal Length 100
Formula C8H10N4O10
Frequency of First Point 3597.79 cm⁻¹
Frequency of Last Point -1.31092 cm⁻¹
High Folding Limit 31596.8
High Frequency Limit 30000 cm⁻¹
High Pass Filter 1
InChI InChI=1S/C8H6N4O8.2H2O/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16;;/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18);2*1H2
InChIKey BFMIJRCCNVNSBS-UHFFFAOYSA-N
Instrument Name Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Laser Wavenumber 15798.4 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 5
Measurement Channel Raman Compartment
Molecular Weight 322.186 g/mol
Non Linearity Correction 0
Number of Points 7466
Number of Sample Scans 66
Optical Filter Setting Open
Peak Amplitude 1446
Peak Location 28692
Phase Correction Mode power spectrum
Phase Resolution 1
Preamplifier Gain 0
Purity 98%
Raman Background Corrected Yes
Raman Corrections Referenced to internal light source; Scattering corrected
Raman Laser Source Nd:YAG
Raman Scattering Corrected Yes
Resolution 2
SKU A0225-1G
SMILES O.O.N1C(NC(C(C2(C(NC(NC2=O)=O)=O)O)(C1=O)O)=O)=O
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 2
Scan Time 0 s
Scanner Velocity 5 kHz
Signal Gain, Sample 2
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 5794.76 cm⁻¹
Synonyms 5-Hydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trione dihydrate
Technique FT-Raman
Zero Filling Factor 4