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2-(3-Isopropoxy-4-methoxyphenoxymethyl)thiirane
SpectraBase Compound ID FrHkasbtYw
InChI InChI=1S/C13H18O3S/c1-9(2)16-13-6-10(4-5-12(13)14-3)15-7-11-8-17-11/h4-6,9,11H,7-8H2,1-3H3
InChIKey WZJUFHLFYOKBKR-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sNsoerZh0A
Name 2-(3-Isopropoxy-4-methoxyphenoxymethyl)thiirane
Appearance Colorless crystals
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Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-9(2)16-13-6-10(4-5-12(13)14-3)15-7-11-8-17-11/h4-6,9,11H,7-8H2,1-3H3
InChIKey WZJUFHLFYOKBKR-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.815
Molecular Weight 254.344 g/mol
Reported Formula C13H18O3S
SMILES C1(CS1)COc1ccc(c(c1)OC(C)C)OC
SPLASH splash10-022i-4930000000-47c04c407717133b7628
Source of Spectrum ARK-2012-166-2g
Thin-Layer Chromatography Rf = 0.58 (EtOAc/n-hexane, 1:3)
Wiley ID 1864756