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5-(3-CHLOROPROPIONYL)-5H-DIBENZ[b,f]AZEPINE
SpectraBase Compound ID 88XqybzUXa3
InChI InChI=1S/C17H14ClNO/c18-12-11-17(20)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19/h1-10H,11-12H2
InChIKey JZNQVXSSQUEJEP-UHFFFAOYSA-N
Mol Weight 283.76 g/mol
Molecular Formula C17H14ClNO
Exact Mass 283.076392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 270gJwbwCfk
Name 3-chloro-1-(5H-dibenz-[b,f]azepine-5yl) propan-1-one
Alternate Name(s) 1-(11-benzo[b][1]benzazepinyl)-3-chloro-1-propanone 1-benzo[b][1]benzazepin-11-yl-3-chloropropan-1-one 1-benzo[b][1]benzazepin-11-yl-3-chloranyl-propan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H14ClNO
InChI InChI=1S/C17H14ClNO/c18-12-11-17(20)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19/h1-10H,11-12H2
InChIKey JZNQVXSSQUEJEP-UHFFFAOYSA-N
Molecular Weight 283.758 g/mol
SMILES C(N1c2c(C=Cc3c1cccc3)cccc2)(CCCl)=O
SPLASH splash10-000i-0090000000-69be6a7cdebb13cde8b4
Source of Spectrum F2-45-7-2
Wiley ID 1688922