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

View entire compound with spectra: 1 MS (GC)

3-(4-Chlorophenyl)-7-hexyl-8-hydroxy-6-methyl-3,4-dihydroisochroman-1-one
SpectraBase Compound ID tJ5qXOfk4T
InChI InChI=1S/C22H25ClO3/c1-3-4-5-6-7-18-14(2)12-16-13-19(15-8-10-17(23)11-9-15)26-22(25)20(16)21(18)24/h8-12,19,24H,3-7,13H2,1-2H3
InChIKey QETRBYFJSMYLBF-UHFFFAOYSA-N
Mol Weight 372.89 g/mol
Molecular Formula C22H25ClO3
Exact Mass 372.149222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DBs3M76qru
Name 3-(4-Chlorophenyl)-7-hexyl-8-hydroxy-6-methyl-3,4-dihydroisochroman-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25ClO3
InChI InChI=1S/C22H25ClO3/c1-3-4-5-6-7-18-14(2)12-16-13-19(15-8-10-17(23)11-9-15)26-22(25)20(16)21(18)24/h8-12,19,24H,3-7,13H2,1-2H3
InChIKey QETRBYFJSMYLBF-UHFFFAOYSA-N
Molecular Weight 372.892 g/mol
SMILES Oc1c2C(OC(Cc2cc(C)c1CCCCCC)c1ccc(cc1)Cl)=O
SPLASH splash10-001i-0195000000-1ac0f86a0c5e408e7395
Source of Spectrum F-66-1882-7ad
Wiley ID 1682573