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3-Cyclohexyl-2-hydroxyisoquinolin-1(2H)-one
SpectraBase Compound ID 7NzAXMlCUPw
InChI InChI=1S/C15H17NO2/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h4-5,8-11,18H,1-3,6-7H2
InChIKey XGLJROYWAVOKFK-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C15H17NO2
Exact Mass 243.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20GI8I6HQ
Name 3-Cyclohexyl-2-hydroxyisoquinolin-1(2H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO2
InChI InChI=1S/C15H17NO2/c17-15-13-9-5-4-8-12(13)10-14(16(15)18)11-6-2-1-3-7-11/h4-5,8-11,18H,1-3,6-7H2
InChIKey XGLJROYWAVOKFK-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.jmedchem.9b01338
Molecular Weight 243.306 g/mol
Reported Formula C15H17NO2
SMILES ON1C(c2c(C=C1C1CCCCC1)cccc2)=O
SPLASH splash10-00b9-0940000000-2e3aec41b4a747490d32
Source of Spectrum AF-63-SM35-4
Wiley ID 1876776