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6-Chloro-2-methoxy-4-(trifluoromethyl)-1H-1,3-diazepine
SpectraBase Compound ID CtVXOMq9xHg
InChI InChI=1S/C7H6ClF3N2O/c1-14-6-12-3-4(8)2-5(13-6)7(9,10)11/h2-3H,1H3,(H,12,13)
InChIKey VBGQRHMGEZCIMD-UHFFFAOYSA-N
Mol Weight 226.59 g/mol
Molecular Formula C7H6ClF3N2O
Exact Mass 226.012075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlpUuMQWnGH
Name 6-Chloro-2-methoxy-4-(trifluoromethyl)-1H-1,3-diazepine
Alternate Name(s) 5-Chloranyl-2-methoxy-7-(trifluoromethyl)-1H-1,3-diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClF3N2O
InChI InChI=1S/C7H6ClF3N2O/c1-14-6-12-3-4(8)2-5(13-6)7(9,10)11/h2-3H,1H3,(H,12,13)
InChIKey VBGQRHMGEZCIMD-UHFFFAOYSA-N
Molecular Weight 226.586 g/mol
SMILES N1C=C(C=C(N=C1OC)C(F)(F)F)Cl
SPLASH splash10-004i-2940000000-b1a3dd9cc8880696d0d9
Source of Spectrum F5-2-253-14a
Wiley ID 1731689