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Isoquinolin-4a-ol, perhydro-1-[3-(4-chlorophenoxy)phenyl]-
SpectraBase Compound ID DapGHtaye7p
InChI InChI=1S/C21H24ClNO2/c22-16-7-9-17(10-8-16)25-18-5-3-4-15(14-18)20-19-6-1-2-11-21(19,24)12-13-23-20/h3-5,7-10,14,19-20,23-24H,1-2,6,11-13H2
InChIKey VTIHRPRDWGOLPD-UHFFFAOYSA-N
Mol Weight 357.88 g/mol
Molecular Formula C21H24ClNO2
Exact Mass 357.149557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPDuKR4vTLS
Name Isoquinolin-4a-ol, perhydro-1-[3-(4-chlorophenoxy)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24ClNO2
InChI InChI=1S/C21H24ClNO2/c22-16-7-9-17(10-8-16)25-18-5-3-4-15(14-18)20-19-6-1-2-11-21(19,24)12-13-23-20/h3-5,7-10,14,19-20,23-24H,1-2,6,11-13H2
InChIKey VTIHRPRDWGOLPD-UHFFFAOYSA-N
Molecular Weight 357.881 g/mol
SMILES N1C(C2C(CCCC2)(CC1)O)c1cc(ccc1)Oc1ccc(cc1)Cl
SPLASH splash10-014u-8955000000-2b8889c0bee5d26c7d72
Source of Spectrum AD-0-2532-0
Synonyms 1-[3-(4-chloranylphenoxy)phenyl]-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol 1-[3-(4-chlorophenoxy)phenyl]-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol 1-[3-(4-Chlorophenoxy)phenyl]octahydro-4a(2H)-isoquinolinol
Wiley ID 1424957