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5-Azido-1,1,1-trichloro-4-methoxy-3-penten-2-one
SpectraBase Compound ID IuXEw6cd6mX
InChI InChI=1S/C6H6Cl3N3O2/c1-14-4(3-11-12-10)2-5(13)6(7,8)9/h2H,3H2,1H3/b4-2-
InChIKey YIQURRMUWSJLTH-RQOWECAXSA-N
Mol Weight 258.49 g/mol
Molecular Formula C6H6Cl3N3O2
Exact Mass 256.95256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kxc1OMN3b3
Name 5-Azido-1,1,1-trichloro-4-methoxy-3-penten-2-one
Alternate Name(s) (3Z)-5-azido-1,1,1-trichloro-4-methoxy-3-penten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6Cl3N3O2
InChI InChI=1S/C6H6Cl3N3O2/c1-14-4(3-11-12-10)2-5(13)6(7,8)9/h2H,3H2,1H3/b4-2-
InChIKey YIQURRMUWSJLTH-RQOWECAXSA-N
Molecular Weight 258.492 g/mol
SMILES C(C(\C=C\(CN=[N+]=[N-])OC)=O)(Cl)(Cl)Cl
SPLASH splash10-001i-0910000000-4b30c8478f420cbfd493
Source of Spectrum SO-0-1963-1
Wiley ID 878772