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Benzonitrile, 4-[3-(2-chloroethyl-2,2-D2)-1-triazenyl]-
SpectraBase Compound ID GTcCBiq3LRU
InChI InChI=1S/C9H9ClN4/c10-5-6-12-14-13-9-3-1-8(7-11)2-4-9/h1-4H,5-6H2,(H,12,13)/i5D2
InChIKey ZKZQXXXAIURLIJ-BFWBPSQCSA-N
Mol Weight 210.66 g/mol
Molecular Formula C9H72D2ClN4
Exact Mass 210.064127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTdvZ4gdGb2
Name Benzonitrile, 4-[3-(2-chloroethyl-2,2-D2)-1-triazenyl]-
CAS Registry Number 78604-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7D2ClN4
InChI InChI=1S/C9H9ClN4/c10-5-6-12-14-13-9-3-1-8(7-11)2-4-9/h1-4H,5-6H2,(H,12,13)/i5D2
InChIKey ZKZQXXXAIURLIJ-BFWBPSQCSA-N
Molecular Weight 210.664 g/mol
SMILES N(\N=N\c1ccc(C#N)cc1)CC([2D])([2D])Cl
SPLASH splash10-001i-0900000000-c43bec4c252f9fe3842f
Source of Spectrum I-59-1355-0
Synonyms 1-(p-Cyanophenol)-3-(2-chloro-2,2-dideuterioethyl)triazene
Wiley ID 1206300