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5-Methylcytosine, hemihydrate
SpectraBase Compound ID DWsWChwzo4J
InChI InChI=1S/2C5H7N3O.H2O/c2*1-3-2-7-5(9)8-4(3)6;/h2*2H,1H3,(H3,6,7,8,9);1H2
InChIKey OZYAUGAQAXIOMT-UHFFFAOYSA-N
Mol Weight 134.138 g/mol
Molecular Formula C5H7N3O·½H2O
Exact Mass 134.064194 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2WTZZua1HZC
Name 5-Methylcytosine, hemihydrate
Source of Sample Calbiochem, EMD Chemicals, Inc., an Affiliate of Merck KGaA, Darmstadt, Germany
Catalog Number 4570
Lot Number 300613
CAS Registry Number 554-01-8
Copyright Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7N3O
InChI InChI=1S/2C5H7N3O.H2O/c2*1-3-2-7-5(9)8-4(3)6;/h2*2H,1H3,(H3,6,7,8,9);1H2
InChIKey OZYAUGAQAXIOMT-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Sadtler IR Number DW1425
Source of Spectrum Forensic Spectral Research
Technique FT-Raman