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3-Thiophenemethanol, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-.alpha.-ethenyl-.alpha.-methyl-
SpectraBase Compound ID HPhBuQnY7yo
InChI InChI=1S/C13H17NO2S/c1-5-13(4,15)9-6-7-17-10(9)11-14-12(2,3)8-16-11/h5-7,15H,1,8H2,2-4H3
InChIKey LRQJAYIWCWPVME-UHFFFAOYSA-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 Kd2HpPvpL8V
Name 3-Thiophenemethanol, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-.alpha.-ethenyl-.alpha.-methyl-
Alternate Name(s) 2-[2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-thienyl]-3-buten-2-ol 2-[3-(1-hydroxy-1-methylpropenyl)-2-thinenyl]-4,4-dimethyl-oxazoline
CAS Registry Number 97759-86-9
Comments Less than 3 mono-isotopic peaks
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Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-5-13(4,15)9-6-7-17-10(9)11-14-12(2,3)8-16-11/h5-7,15H,1,8H2,2-4H3
InChIKey LRQJAYIWCWPVME-UHFFFAOYSA-N
Molecular Weight 251.344 g/mol
SMILES OC(c1c(C2=NC(C)(C)CO2)scc1)(C=C)C
SPLASH splash10-014i-0920000000-79992cf05ab39cc45521
Source of Spectrum KC-1985-180-11
Wiley ID 1254448