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4,6-Dichloro-1-phenyl-1H-azepin-3(2H)-one
SpectraBase Compound ID 9ydB8mIWBsW
InChI InChI=1S/C12H9Cl2NO/c13-9-6-11(14)12(16)8-15(7-9)10-4-2-1-3-5-10/h1-7H,8H2
InChIKey XMLCXPBKRGFBDB-UHFFFAOYSA-N
Mol Weight 254.12 g/mol
Molecular Formula C12H9Cl2NO
Exact Mass 253.006119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5j7dn4kRM3D
Name 3H-Azepin-3-one, 4,6-dichloro-1,2-dihydro-1-phenyl-
Alternate Name(s) 4,6-Dichloro-1-phenyl-1,2-dihydro-3H-azepin-3-one 4,6-Dichloro-1-phenyl-1H-azepin-3(2H)-one
CAS Registry Number 110811-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9Cl2NO
InChI InChI=1S/C12H9Cl2NO/c13-9-6-11(14)12(16)8-15(7-9)10-4-2-1-3-5-10/h1-7H,8H2
InChIKey XMLCXPBKRGFBDB-UHFFFAOYSA-N
Molecular Weight 254.116 g/mol
SMILES C=1N(CC(C(=CC1Cl)Cl)=O)c1ccccc1
SPLASH splash10-0a4i-0590000000-fcf6eb601f122f894610
Source of Spectrum KC-1990-3167-0
Wiley ID 1256607