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3-Methyl-5-(1-methylethyl)-4-(phenylethynyl)furan-2(5H)-one
SpectraBase Compound ID CrwhcNCx3CF
InChI InChI=1S/C16H16O2/c1-11(2)15-14(12(3)16(17)18-15)10-9-13-7-5-4-6-8-13/h4-8,11,15H,1-3H3
InChIKey RMQJWAUCTVUFTJ-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3f5JYRkFEW
Name 3-Methyl-5-(1-methylethyl)-4-(phenylethynyl)furan-2(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-11(2)15-14(12(3)16(17)18-15)10-9-13-7-5-4-6-8-13/h4-8,11,15H,1-3H3
InChIKey RMQJWAUCTVUFTJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000159
Molecular Weight 240.302 g/mol
SMILES C1(OC(C(=C1C)C#Cc1ccccc1)C(C)C)=O
SPLASH splash10-0007-0930000000-62d274461b07ed2bf533
Source of Spectrum ASC-352-1307/SM26-4as
Synonyms 5-Isopropyl-3-methyl-4-(phenylethynyl)furan-2(5H)-one
Wiley ID 1764499