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3-Acetyl-5-benzoyl-2-methyl-4-(3-methylphenyl)thiophene
SpectraBase Compound ID EFxhH37r8pG
InChI InChI=1S/C21H18O2S/c1-13-8-7-11-17(12-13)19-18(14(2)22)15(3)24-21(19)20(23)16-9-5-4-6-10-16/h4-12H,1-3H3
InChIKey DUXFUZUTDWZEBJ-UHFFFAOYSA-N
Mol Weight 334.43 g/mol
Molecular Formula C21H18O2S
Exact Mass 334.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IG5vCaaF4tI
Name 3-Acetyl-5-benzoyl-2-methyl-4-(3-methylphenyl)thiophene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.102750992 u
Formula C21H18O2S
InChI InChI=1S/C21H18O2S/c1-13-8-7-11-17(12-13)19-18(14(2)22)15(3)24-21(19)20(23)16-9-5-4-6-10-16/h4-12H,1-3H3
InChIKey DUXFUZUTDWZEBJ-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 334.433 g/mol
Quality 447
SMILES C=1(SC(=C(C1C1=CC=CC(=C1)C)C(=O)C)C)C(C1=CC=CC=C1)=O
SPLASH splash10-069r-4629000000-bde60cddd3b471209da8
Source of Spectrum K1-2018-3007-4c (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891773