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3-Acetyl-5-benzoyl-4-(3-methoxyphenyl)-2-methylthiophene
SpectraBase Compound ID LIWUU8lznrN
InChI InChI=1S/C21H18O3S/c1-13(22)18-14(2)25-21(20(23)15-8-5-4-6-9-15)19(18)16-10-7-11-17(12-16)24-3/h4-12H,1-3H3
InChIKey NYDPMXQVTSINSA-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C21H18O3S
Exact Mass 350.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69Tw0C1foOT
Name 3-Acetyl-5-benzoyl-4-(3-methoxyphenyl)-2-methylthiophene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.097665611 u
Formula C21H18O3S
InChI InChI=1S/C21H18O3S/c1-13(22)18-14(2)25-21(20(23)15-8-5-4-6-9-15)19(18)16-10-7-11-17(12-16)24-3/h4-12H,1-3H3
InChIKey NYDPMXQVTSINSA-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 350.432 g/mol
Quality 517
SMILES C=1(SC(=C(C1C1=CC=CC(=C1)OC)C(=O)C)C)C(C1=CC=CC=C1)=O
SPLASH splash10-0zfr-3539000000-7251887bac9e1f535b26
Source of Spectrum K1-2018-3007-4d (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891774