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3-(4-Methylbenzyl)isobenzofuran-1(3H)-one
SpectraBase Compound ID F1JFr36p5nB
InChI InChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)10-15-13-4-2-3-5-14(13)16(17)18-15/h2-9,15H,10H2,1H3
InChIKey HCBJASZKVAAQES-UHFFFAOYSA-N
Mol Weight 238.29 g/mol
Molecular Formula C16H14O2
Exact Mass 238.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56c2pbeSEEB
Name 3-(4-Methylbenzyl)isobenzofuran-1(3H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O2
InChI InChI=1S/C16H14O2/c1-11-6-8-12(9-7-11)10-15-13-4-2-3-5-14(13)16(17)18-15/h2-9,15H,10H2,1H3
InChIKey HCBJASZKVAAQES-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5890 Series II-5971A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.143
Molecular Weight 238.286 g/mol
SMILES c1cc2c(cc1)C(OC2Cc1ccc(cc1)C)=O
SPLASH splash10-0a4i-0900000000-d5d0902a06ca4ff45e27
Source of Spectrum BJO-13-SM12-13b
Thin-Layer Chromatography Rf = 0.47 (PE:EtOAc, 4:1)
Wiley ID 1848191