For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Acetyl-4-(4-methoxyphenyl)-2-methyl-5-(4-phenylbenzoyl)thiophene
SpectraBase Compound ID CieYO27yfKX
InChI InChI=1S/C27H22O3S/c1-17(28)24-18(2)31-27(25(24)21-13-15-23(30-3)16-14-21)26(29)22-11-9-20(10-12-22)19-7-5-4-6-8-19/h4-16H,1-3H3
InChIKey NNLBGRXDLOMJII-UHFFFAOYSA-N
Mol Weight 426.53 g/mol
Molecular Formula C27H22O3S
Exact Mass 426.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EsiJSAykKNL
Name 3-Acetyl-4-(4-methoxyphenyl)-2-methyl-5-(4-phenylbenzoyl)thiophene
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.128965739 u
Formula C27H22O3S
InChI InChI=1S/C27H22O3S/c1-17(28)24-18(2)31-27(25(24)21-13-15-23(30-3)16-14-21)26(29)22-11-9-20(10-12-22)19-7-5-4-6-8-19/h4-16H,1-3H3
InChIKey NNLBGRXDLOMJII-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 426.530 g/mol
Quality 355
SMILES C=1(SC(=C(C1C1=CC=C(C=C1)OC)C(=O)C)C)C(C1=CC=C(C=C1)C1=CC=CC=C1)=O
SPLASH splash10-004i-3610900000-de0136772034c3256c48
Source of Spectrum K1-2018-3008-4i (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891779