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3(2H)-Isoquinolinone, octahydro-2-methyl-4a-phenyl-, trans-
SpectraBase Compound ID 1lE1VzOL4Jk
InChI InChI=1S/C16H21NO/c1-17-12-14-9-5-6-10-16(14,11-15(17)18)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3/t14-,16-/m1/s1
InChIKey WNHTYSJPNGNQNC-GDBMZVCRSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJgIkTm2gSD
Name 3(2H)-Isoquinolinone, octahydro-2-methyl-4a-phenyl-, trans-
CAS Registry Number 117661-10-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO
InChI InChI=1S/C16H21NO/c1-17-12-14-9-5-6-10-16(14,11-15(17)18)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3/t14-,16-/m1/s1
InChIKey WNHTYSJPNGNQNC-GDBMZVCRSA-N
Molecular Weight 243.350 g/mol
SMILES [C@@]12(CC(=O)N(C[C@]2(CCCC1)[H])C)c1ccccc1
SPLASH splash10-03dl-1930000000-41372f9d525b078e670e
Source of Spectrum F-44-1571-14
Synonyms (4aS,8aS)-2-methyl-4a-phenyloctahydro-3(2H)-isoquinolinone 2-Methyl-4a-phenyl-3-oxo-transdecahydroisoquinoline
Wiley ID 1246249