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Propenone, 3-(4-chlorophenyl)-1-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-
SpectraBase Compound ID F4GvuAv0FlB
InChI InChI=1S/C18H15ClO2S/c1-18(2,21)12-11-15-8-10-17(22-15)16(20)9-5-13-3-6-14(19)7-4-13/h3-10,21H,1-2H3/b9-5+
InChIKey CEQGXXUEKNFDGJ-WEVVVXLNSA-N
Mol Weight 330.83 g/mol
Molecular Formula C18H15ClO2S
Exact Mass 330.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hjf2NDdPA1d
Name Propenone, 3-(4-chlorophenyl)-1-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-
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Formula C18H15ClO2S
InChI InChI=1S/C18H15ClO2S/c1-18(2,21)12-11-15-8-10-17(22-15)16(20)9-5-13-3-6-14(19)7-4-13/h3-10,21H,1-2H3/b9-5+
InChIKey CEQGXXUEKNFDGJ-WEVVVXLNSA-N
Molecular Weight 330.829 g/mol
SMILES OC(C#Cc1sc(cc1)C(\C=C\c1ccc(cc1)Cl)=O)(C)C
SPLASH splash10-0fr6-9833000000-73cf248af574738741ab
Source of Spectrum AD-0-2532-0
Synonyms (2E)-3-(4-Chlorophenyl)-1-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-2-propen-1-one (E)-3-(4-chlorophenyl)-1-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]prop-2-en-1-one (E)-3-(4-chlorophenyl)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-2-propen-1-one (E)-3-(4-chlorophenyl)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]prop-2-en-1-one (E)-3-(4-chlorophenyl)-1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]prop-2-en-1-one
Wiley ID 1429109