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(4-Chlorophenyl)(2-(4,5-dihydrooxazol-2-yl)-6-(methylthio)phenyl)methanone

View entire compound with spectra: 1 MS (GC)

(4-Chlorophenyl)(2-(4,5-dihydrooxazol-2-yl)-6-(methylthio)phenyl)methanone
SpectraBase Compound ID IiwFTaBfLAt
InChI InChI=1S/C17H14ClNO2S/c1-22-14-4-2-3-13(17-19-9-10-21-17)15(14)16(20)11-5-7-12(18)8-6-11/h2-8H,9-10H2,1H3
InChIKey HDLFAQQSVGTJPI-UHFFFAOYSA-N
Mol Weight 331.82 g/mol
Molecular Formula C17H14ClNO2S
Exact Mass 331.043378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IP2QWgWBkGu
Name (4-Chlorophenyl)(2-(4,5-dihydrooxazol-2-yl)-6-(methylthio)phenyl)methanone
Appearance Light grey solid
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Exact Mass 331.043377567 u
Formula C17H14ClNO2S
InChI InChI=1S/C17H14ClNO2S/c1-22-14-4-2-3-13(17-19-9-10-21-17)15(14)16(20)11-5-7-12(18)8-6-11/h2-8H,9-10H2,1H3
InChIKey HDLFAQQSVGTJPI-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201508719
Molecular Weight 331.817 g/mol
Quality 816
Reported Formula C17H14ClNO2S
SMILES C1(Cl)=CC=C(C=C1)C(=O)C1=C(C=CC=C1SC)C=1OCCN1
SPLASH splash10-0udi-1219000000-02222fdcf91818f536ee
Source of Spectrum ACI-55-SM10-12c (DOI: 10.1002/anie.201508719)
Wiley ID 1895087