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4-(o-Tolyl)-2H-chromen-2-one
SpectraBase Compound ID 1roqb5ATLSZ
InChI InChI=1S/C16H12O2/c1-11-6-2-3-7-12(11)14-10-16(17)18-15-9-5-4-8-13(14)15/h2-10H,1H3
InChIKey RJENABICOAKXRW-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NkHmpUc8rT
Name 4-(o-Tolyl)-2H-chromen-2-one
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O2
InChI InChI=1S/C16H12O2/c1-11-6-2-3-7-12(11)14-10-16(17)18-15-9-5-4-8-13(14)15/h2-10H,1H3
InChIKey RJENABICOAKXRW-UHFFFAOYSA-N
Instrument Name JEOL JMS-SX-102A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901866
Molecular Weight 236.270 g/mol
SMILES c1(c(cccc1)C)C1=CC(Oc2c1cccc2)=O
SPLASH splash10-052r-1390000000-7d400ea4509628069389
Source of Spectrum U1-2020-SM6-20
Thin-Layer Chromatography Rf = 0.6 (Hexane/EtOAc, 5:2)
Wiley ID 1858852