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N-(15)-O-TRICHLOROACETYL-7-FLUORO-4-METHYL-1-INDANONE-OXIME
SpectraBase Compound ID 7Pi9iSMlnFH
InChI InChI=1S/C12H9Cl3FNO2/c1-6-2-4-8(16)10-7(6)3-5-9(10)17-19-11(18)12(13,14)15/h2,4H,3,5H2,1H3/b17-9+/i17+1
InChIKey ZQEPTFYHJWGUHA-QVZVZTGASA-N
Mol Weight 325.56 g/mol
Molecular Formula C12H9Cl3F15NO2
Exact Mass 323.965325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2PgvSZry4q
Name 1H-inden-1-one, 7-fluoro-2,3-dihydro-4-methyl-, o-(trichloroacetyl)oxime-15-N
CAS Registry Number 137466-01-4
Comments Less than 3 mono-isotopic peaks; Original formula: C12H9Cl3F[15N]O2
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Formula C12H9Cl3FNO2
InChI InChI=1S/C12H9Cl3FNO2/c1-6-2-4-8(16)10-7(6)3-5-9(10)17-19-11(18)12(13,14)15/h2,4H,3,5H2,1H3/b17-9+/i17+1
InChIKey ZQEPTFYHJWGUHA-QVZVZTGASA-N
Molecular Weight 325.560 g/mol
SMILES C(C(Cl)(Cl)Cl)(O\[15N]=C\1c2c(c(C)ccc2F)CC1)=O
SPLASH splash10-03mi-0509000000-643bf849e7405e2b1ca3
Source of Spectrum J-57-369-0
Synonyms 1H-inden-1-one, 7-fluoro-2,3-dihydro-4-methyl-, O-(trichloroacetyl)oxime-, [¹5N]-labelled
Wiley ID 1322271