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5-Isopropyl-4-((4-methoxyphenyl)ethynyl)furan-2(5H)-one
SpectraBase Compound ID 8k5qnvtzMBj
InChI InChI=1S/C16H16O3/c1-11(2)16-13(10-15(17)19-16)7-4-12-5-8-14(18-3)9-6-12/h5-6,8-11,16H,1-3H3
InChIKey DZWCBEVTSYPOMG-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HBzEamWDiM
Name 5-Isopropyl-4-((4-methoxyphenyl)ethynyl)furan-2(5H)-one
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.109944372 u
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-11(2)16-13(10-15(17)19-16)7-4-12-5-8-14(18-3)9-6-12/h5-6,8-11,16H,1-3H3
InChIKey DZWCBEVTSYPOMG-UHFFFAOYSA-N
Instrument Name JEOL AccuTOF GCx or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201902213
Molecular Weight 256.301 g/mol
Quality 22
Reported Formula C16H16O3
SMILES C(C)(C)C1C(=CC(O1)=O)C#CC1=CC=C(C=C1)OC
SPLASH splash10-0a4i-0490000000-4d968e112cdf99bfcf97
Source of Spectrum QE-25-SM28-3m (DOI: 10.1002/chem.201902213)
Thin-Layer Chromatography 0.32 (PE/EA, 20:1)
Wiley ID 1893869