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1,2-diphenylethyl thiophene-2-carboxylate
SpectraBase Compound ID AV8pRAP1HKI
InChI InChI=1S/C19H16O2S/c20-19(18-12-7-13-22-18)21-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-13,17H,14H2
InChIKey MXHRPJZVBMDKPR-UHFFFAOYSA-N
Mol Weight 308.4 g/mol
Molecular Formula C19H16O2S
Exact Mass 308.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfIlgDJVdGS
Name 1,2-diphenylethyl thiophene-2-carboxylate
Appearance Colorless oil
Carrier Gas Methane
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Exact Mass 308.087100927 u
Formula C19H16O2S
InChI InChI=1S/C19H16O2S/c20-19(18-12-7-13-22-18)21-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-13,17H,14H2
InChIKey MXHRPJZVBMDKPR-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202201761
Molecular Weight 308.395 g/mol
Quality 208
Reported Formula C19H16O2S
SMILES C1(=CC=CC=C1)CC(C1=CC=CC=C1)OC(=O)C=1SC=CC1
SPLASH splash10-03di-6910000000-f5732569a97a9f9eeb8d
Source of Spectrum QE-28-SM14-3j (DOI: 10.1002/chem.202201761)
Thin-Layer Chromatography 0.35 (n-pentane/EtOAc, 20:1)
Wiley ID 1900685