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7-Chloro-3-phenylisochroman-1-one
SpectraBase Compound ID 3eltASXa4P5
InChI InChI=1S/C15H11ClO2/c16-12-7-6-11-8-14(10-4-2-1-3-5-10)18-15(17)13(11)9-12/h1-7,9,14H,8H2
InChIKey ZXQXVLOGVVGASD-UHFFFAOYSA-N
Mol Weight 258.7 g/mol
Molecular Formula C15H11ClO2
Exact Mass 258.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IihCMNcJtEa
Name 7-Chloro-3-phenylisochroman-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11ClO2
InChI InChI=1S/C15H11ClO2/c16-12-7-6-11-8-14(10-4-2-1-3-5-10)18-15(17)13(11)9-12/h1-7,9,14H,8H2
InChIKey ZXQXVLOGVVGASD-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5890 Series II-5971A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.143
Molecular Weight 258.704 g/mol
SMILES c1(Cl)ccc2c(c1)C(OC(C2)c1ccccc1)=O
SPLASH splash10-0udi-1900000000-93ccc60db98ad0096d2b
Source of Spectrum BJO-13-SM5-4b
Thin-Layer Chromatography Rf = 0.44 (PE:EtOAc, 4:1)
Wiley ID 1848195