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3-(4-Chlorophenyl)-8-hydroxy-7-ethyl-6-methyl-3,4-dihydroisochroman-1-one

View entire compound with spectra: 1 MS (GC)

3-(4-Chlorophenyl)-8-hydroxy-7-ethyl-6-methyl-3,4-dihydroisochroman-1-one
SpectraBase Compound ID 1knDneQUPvT
InChI InChI=1S/C18H17ClO3/c1-3-14-10(2)8-12-9-15(11-4-6-13(19)7-5-11)22-18(21)16(12)17(14)20/h4-8,15,20H,3,9H2,1-2H3
InChIKey IDXORRFSDKCKFO-UHFFFAOYSA-N
Mol Weight 316.78 g/mol
Molecular Formula C18H17ClO3
Exact Mass 316.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dJQ2kMp01V
Name 3-(4-Chlorophenyl)-8-hydroxy-7-ethyl-6-methyl-3,4-dihydroisochroman-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClO3
InChI InChI=1S/C18H17ClO3/c1-3-14-10(2)8-12-9-15(11-4-6-13(19)7-5-11)22-18(21)16(12)17(14)20/h4-8,15,20H,3,9H2,1-2H3
InChIKey IDXORRFSDKCKFO-UHFFFAOYSA-N
Molecular Weight 316.784 g/mol
SMILES Oc1c2C(OC(Cc2cc(C)c1CC)c1ccc(cc1)Cl)=O
SPLASH splash10-00kb-0096000000-175e604e3b75fc70478b
Source of Spectrum F-66-1881-7ac
Wiley ID 1682574