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(4S,5S)-4-Hydroxymethyl2-iso-propyl-5-[4-(methylthio)phenyl]-2-oxazoline
SpectraBase Compound ID F4PFje7wGty
InChI InChI=1S/C14H19NO2S/c1-9(2)14-15-12(8-16)13(17-14)10-4-6-11(18-3)7-5-10/h4-7,9,12-13,16H,8H2,1-3H3/t12-,13-/m0/s1
InChIKey RRWPPHAZBZAMLF-STQMWFEESA-N
Mol Weight 265.37 g/mol
Molecular Formula C14H19NO2S
Exact Mass 265.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMGFYoGYy0U
Name (4S,5S)-4-Hydroxymethyl2-iso-propyl-5-[4-(methylthio)phenyl]-2-oxazoline
Alternate Name(s) {(4S,5S)-2-isopropyl-5-[4-(methylsulfanyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl}methanol
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Formula C14H19NO2S
InChI InChI=1S/C14H19NO2S/c1-9(2)14-15-12(8-16)13(17-14)10-4-6-11(18-3)7-5-10/h4-7,9,12-13,16H,8H2,1-3H3/t12-,13-/m0/s1
InChIKey RRWPPHAZBZAMLF-STQMWFEESA-N
Molecular Weight 265.371 g/mol
SMILES OC[C@@]1(N=C(O[C@]1(c1ccc(cc1)SC)[H])C(C)C)[H]
SPLASH splash10-03xr-6940000000-a0c435cc43e3ebfc7843
Source of Spectrum KD-15-3292-11
Wiley ID 1637245