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1-[5-(3-Hydroxy-3-methyl-but-1-ynyl)-thiophen-2-yl]-3-phenyl-propenone
SpectraBase Compound ID L7InlJfNBER
InChI InChI=1S/C18H16O2S/c1-18(2,20)13-12-15-9-11-17(21-15)16(19)10-8-14-6-4-3-5-7-14/h3-11,20H,1-2H3/b10-8+
InChIKey XTVAIAUCMMHOMX-CSKARUKUSA-N
Mol Weight 296.38 g/mol
Molecular Formula C18H16O2S
Exact Mass 296.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ab6gFMc0m1t
Name 1-[5-(3-Hydroxy-3-methyl-but-1-ynyl)-thiophen-2-yl]-3-phenyl-propenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O2S
InChI InChI=1S/C18H16O2S/c1-18(2,20)13-12-15-9-11-17(21-15)16(19)10-8-14-6-4-3-5-7-14/h3-11,20H,1-2H3/b10-8+
InChIKey XTVAIAUCMMHOMX-CSKARUKUSA-N
Molecular Weight 296.384 g/mol
SMILES OC(C#Cc1sc(cc1)C(\C=C\c1ccccc1)=O)(C)C
SPLASH splash10-0006-9420000000-c7f10d7e0efc44312979
Source of Spectrum AD-0-2532-0
Synonyms (2E)-1-[5-(3-Hydroxy-3-methyl-1-butynyl)-2-thienyl]-3-phenyl-2-propen-1-one (E)-1-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]-3-phenyl-prop-2-en-1-one (E)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-3-phenyl-2-propen-1-one (E)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-3-phenylprop-2-en-1-one (E)-1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]-3-phenyl-prop-2-en-1-one
Wiley ID 1435812