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S-2-[N-(cyclohex-1'-enyl)butyramido]phenyl thiopropionate
SpectraBase Compound ID GZxATFlFuCp
InChI InChI=1S/C19H25NO2S/c1-2-19(22)23-17-13-7-6-9-15(17)10-8-14-18(21)20-16-11-4-3-5-12-16/h6-7,9,11,13H,2-5,8,10,12,14H2,1H3,(H,20,21)
InChIKey XKEOZPCMJOZHIA-UHFFFAOYSA-N
Mol Weight 331.47 g/mol
Molecular Formula C19H25NO2S
Exact Mass 331.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eo3em5obuGk
Name S-2-[N-(cyclohex-1'-enyl)butyramido]phenyl thiopropionate
Comments Less than 3 mono-isotopic peaks
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Formula C19H25NO2S
InChI InChI=1S/C19H25NO2S/c1-2-19(22)23-17-13-7-6-9-15(17)10-8-14-18(21)20-16-11-4-3-5-12-16/h6-7,9,11,13H,2-5,8,10,12,14H2,1H3,(H,20,21)
InChIKey XKEOZPCMJOZHIA-UHFFFAOYSA-N
Molecular Weight 331.474 g/mol
SMILES N(C(CCCc1c(SC(=O)CC)cccc1)=O)C1=CCCCC1
SPLASH splash10-0udi-0090000000-2dc176d3c561802a0231
Source of Spectrum KC-1991-1508-3
Synonyms S-{2-[4-(1-cyclohexen-1-ylamino)-4-oxobutyl]phenyl} propanethioate
Wiley ID 1328737