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2-(4-Methoxyphenyl)-5-methyl-3,4-ethylenedioxythiophene
SpectraBase Compound ID 3tQvgiaVaJp
InChI InChI=1S/C14H14O3S/c1-9-12-13(17-8-7-16-12)14(18-9)10-3-5-11(15-2)6-4-10/h3-6H,7-8H2,1-2H3
InChIKey YLBJWVMXGBSRCZ-UHFFFAOYSA-N
Mol Weight 262.32 g/mol
Molecular Formula C14H14O3S
Exact Mass 262.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqibHWRWRTM
Name 2-(4-Methoxyphenyl)-5-methyl-3,4-ethylenedioxythiophene
Appearance Colorless solid
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Exact Mass 262.066365482 u
Formula C14H14O3S
InChI InChI=1S/C14H14O3S/c1-9-12-13(17-8-7-16-12)14(18-9)10-3-5-11(15-2)6-4-10/h3-6H,7-8H2,1-2H3
InChIKey YLBJWVMXGBSRCZ-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5975B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201712081
Reported Formula C14H14O3S
SMILES COC1=CC=C(C=C1)C=1SC(=C2C1OCCO2)C
SPLASH splash10-0w29-1290000000-8fa1a54ca851ae71a0e9
Source of Spectrum ACI-57-SM7-3da (DOI: 10.1002/anie.201712081)
Thin-Layer Chromatography 0.28 (hexane/ethyl acetate, 10:1)
Wiley ID 1891203