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N-(5-chloro-2-methoxyphenyl)pentanethioamide
SpectraBase Compound ID KiKlMfp5qAk
InChI InChI=1S/C12H16ClNOS/c1-3-4-5-12(16)14-10-8-9(13)6-7-11(10)15-2/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKey SFAIIDSGVPEEFK-UHFFFAOYSA-N
Mol Weight 257.78 g/mol
Molecular Formula C12H16ClNOS
Exact Mass 257.064113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfEmq8Cg20G
Name N-(5-chloro-2-methoxyphenyl)pentanethioamide
Appearance Yellow solid
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Exact Mass 257.064113012 u
Formula C12H16ClNOS
InChI InChI=1S/C12H16ClNOS/c1-3-4-5-12(16)14-10-8-9(13)6-7-11(10)15-2/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKey SFAIIDSGVPEEFK-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504247
Molecular Weight 257.779 g/mol
Reported Formula C12H16ClNOS
SMILES N(C1=C(C=CC(Cl)=C1)OC)C(CCCC)=S
SPLASH splash10-004i-0190000000-9a194da6460fbf87f3ab
Source of Spectrum QE-21-SM18-17 (DOI: 10.1002/chem.201504247)
Wiley ID 1907527