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3-Acetyl-5-(4-methoxybenzoyl)-2-methyl-4-phenylthiophene
SpectraBase Compound ID 8R4mPf2Zjft
InChI InChI=1S/C21H18O3S/c1-13(22)18-14(2)25-21(19(18)15-7-5-4-6-8-15)20(23)16-9-11-17(24-3)12-10-16/h4-12H,1-3H3
InChIKey ADOVOIMIEQMFDM-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 4TzHiWV4pwF
Name 3-Acetyl-5-(4-methoxybenzoyl)-2-methyl-4-phenylthiophene
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(19(18)15-7-5-4-6-8-15)20(23)16-9-11-17(24-3)12-10-16/h4-12H,1-3H3
InChIKey ADOVOIMIEQMFDM-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 350.432 g/mol
Quality 384
SMILES C=1(SC(=C(C1C1=CC=CC=C1)C(=O)C)C)C(C1=CC=C(C=C1)OC)=O
SPLASH splash10-0zfr-3529000000-09d5b7f07a19a9a06994
Source of Spectrum K1-2018-3008-4h (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891778