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2-CHLORO-4,6-DIAMINOTRIAZIN-HYDRATE
SpectraBase Compound ID 2KVSsIaOkao
InChI InChI=1S/C3H4ClN5.H2O/c4-1-7-2(5)9-3(6)8-1;/h(H4,5,6,7,8,9);1H2
InChIKey ORILAIIBNMSESH-UHFFFAOYSA-N
Mol Weight 163.57 g/mol
Molecular Formula C3H6ClN5O
Exact Mass 163.026088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTdRiRZpEZK
Name 2-CHLORO-4,6-DIAMINOTRIAZIN-HYDRATE
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 163.026087532 u
Formula C3H6ClN5O
InChI InChI=1S/C3H4ClN5.H2O/c4-1-7-2(5)9-3(6)8-1;/h(H4,5,6,7,8,9);1H2
InChIKey ORILAIIBNMSESH-UHFFFAOYSA-N
Molecular Weight 163.568 g/mol
Nominal Mass 163 u
Number of Peaks 45
SMILES O.Nc1nc(nc(n1)Cl)N
SPLASH splash10-0005-9800000000-b905f5ac27b77bd846e0
Source of Spectrum Dr. Rolf Kuehnle
Synonyms 6-chloro-1,3,5-triazine-2,4-diamine hydrate
Technique GC/MS
Wiley ID WID_MSPA_3630