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(4S,5S)-2-Ethyl-4-hydroxymethyl-5-[4-(methylthio)phenyl]-2-oxazoline
SpectraBase Compound ID IriqRym8kpq
InChI InChI=1S/C13H17NO2S/c1-3-12-14-11(8-15)13(16-12)9-4-6-10(17-2)7-5-9/h4-7,11,13,15H,3,8H2,1-2H3/t11-,13-/m0/s1
InChIKey SDAGFFHYZNTWOU-AAEUAGOBSA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INnjAWOv4YP
Name (4S,5S)-2-Ethyl-4-hydroxymethyl-5-[4-(methylthio)phenyl]-2-oxazoline
Alternate Name(s) {(4S,5S)-2-ethyl-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl}methanol
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Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-3-12-14-11(8-15)13(16-12)9-4-6-10(17-2)7-5-9/h4-7,11,13,15H,3,8H2,1-2H3/t11-,13-/m0/s1
InChIKey SDAGFFHYZNTWOU-AAEUAGOBSA-N
Molecular Weight 251.344 g/mol
SMILES OC[C@@]1(N=C(O[C@]1(c1ccc(cc1)SC)[H])CC)[H]
SPLASH splash10-0002-9230000000-f956ca94d2fcd834fc57
Source of Spectrum KD-15-3292-10
Wiley ID 1637246