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3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide

View entire compound with spectra: 2 FTIR, 1 Raman, and 1 MS (GC)

3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide
SpectraBase Compound ID C1iqZOdrK2P
InChI InChI=1S/C6H5ClN4O/c7-1-4-3-11(12)6(9)5(2-8)10-4/h3H,1,9H2
InChIKey MOTPZQHCPMUIMZ-UHFFFAOYSA-N
Mol Weight 184.59 g/mol
Molecular Formula C6H5ClN4O
Exact Mass 184.015188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpiB5FJOjpu
Name 3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide
Alternate Name(s) Pyrazine-2-carbonitrile, 3-amino-6-chloromethyl-, 4-oxide Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide
CAS Registry Number 40127-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5ClN4O
InChI InChI=1S/C6H5ClN4O/c7-1-4-3-11(12)6(9)5(2-8)10-4/h3H,1,9H2
InChIKey MOTPZQHCPMUIMZ-UHFFFAOYSA-N
Molecular Weight 184.586 g/mol
SMILES Nc1[n+](cc(nc1C#N)CCl)[O-]
SPLASH splash10-00ds-9500000000-a3657aa28d9a130f4c63
Wiley ID 1454247