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Benzaldehyde, 2-[5-[2-(3-oxo-1-butenyl)phenyl]-2-thienyl]-
SpectraBase Compound ID Fs3EnwACktl
InChI InChI=1S/C21H16O2S/c1-15(23)10-11-16-6-2-4-8-18(16)20-12-13-21(24-20)19-9-5-3-7-17(19)14-22/h2-14H,1H3/b11-10+
InChIKey DOMXTKQSRQZXLZ-ZHACJKMWSA-N
Mol Weight 332.42 g/mol
Molecular Formula C21H16O2S
Exact Mass 332.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaNJjNASgLV
Name Benzaldehyde, 2-[5-[2-(3-oxo-1-butenyl)phenyl]-2-thienyl]-
Alternate Name(s) 2-(2-Formylphenyl)-5-[2-(3-oxobut-1-enyl)phenyl]thiophene 2-(5-{2-[(1E)-3-oxo-1-butenyl]phenyl}-2-thienyl)benzaldehyde
CAS Registry Number 114649-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O2S
InChI InChI=1S/C21H16O2S/c1-15(23)10-11-16-6-2-4-8-18(16)20-12-13-21(24-20)19-9-5-3-7-17(19)14-22/h2-14H,1H3/b11-10+
InChIKey DOMXTKQSRQZXLZ-ZHACJKMWSA-N
Molecular Weight 332.417 g/mol
SMILES c1(sc(cc1)-c1c(C=O)cccc1)-c1c(\C=C\C(=O)C)cccc1
SPLASH splash10-00dr-0090000000-2637b33fb6948ac3e71d
Source of Spectrum KC-1987-2325-13
Wiley ID 1329655