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methyl 4-(benzo[b]thiophen-3-yl(4-methoxyphenyl)methyl)benzoate
SpectraBase Compound ID LY5AZBo4xiM
InChI InChI=1S/C24H20O3S/c1-26-19-13-11-17(12-14-19)23(16-7-9-18(10-8-16)24(25)27-2)21-15-28-22-6-4-3-5-20(21)22/h3-15,23H,1-2H3
InChIKey FGKFAHBLWAYYTB-UHFFFAOYSA-N
Mol Weight 388.48 g/mol
Molecular Formula C24H20O3S
Exact Mass 388.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7J8CbAtpzEu
Name methyl 4-(benzo[b]thiophen-3-yl(4-methoxyphenyl)methyl)benzoate
Appearance Orange waxy oil
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Exact Mass 388.113315675 u
Formula C24H20O3S
InChI InChI=1S/C24H20O3S/c1-26-19-13-11-17(12-14-19)23(16-7-9-18(10-8-16)24(25)27-2)21-15-28-22-6-4-3-5-20(21)22/h3-15,23H,1-2H3
InChIKey FGKFAHBLWAYYTB-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101682
Molecular Weight 388.481 g/mol
Reported Formula C24H20O3S
SMILES C1(C(C2=CC=C(C=C2)OC)C2=CSC3=C2C=CC=C3)=CC=C(C=C1)C(OC)=O
SPLASH splash10-000i-0039000000-c4cd6954ba8c30990ed4
Source of Spectrum ACI-60-SM26-5n (DOI: 10.1002/anie.202101682)
Wiley ID 1891262