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6(2H)-Isoquinolinone,octahydro-2-methyl-4a-phenyl-, trans-
SpectraBase Compound ID 6s1Jp4xAAb3
InChI InChI=1S/C16H21NO/c1-17-10-9-16(13-5-3-2-4-6-13)11-15(18)8-7-14(16)12-17/h2-6,14H,7-12H2,1H3/t14-,16+/m1/s1
InChIKey FFBSKTNIGLGNQP-ZBFHGGJFSA-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 IomWF36a8Yq
Name 6(2H)-Isoquinolinone,octahydro-2-methyl-4a-phenyl-, trans-
CAS Registry Number 61210-14-8
Comments Less than 3 mono-isotopic peaks
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Formula C16H21NO
InChI InChI=1S/C16H21NO/c1-17-10-9-16(13-5-3-2-4-6-13)11-15(18)8-7-14(16)12-17/h2-6,14H,7-12H2,1H3/t14-,16+/m1/s1
InChIKey FFBSKTNIGLGNQP-ZBFHGGJFSA-N
Molecular Weight 243.350 g/mol
SMILES [C@]12([C@@](CN(CC2)C)(CCC(C1)=O)[H])c1ccccc1
SPLASH splash10-0006-9050000000-b6dbd639f2886eed2763
Source of Spectrum C-98-6657-0
Synonyms (4aR,8aS)-2-methyl-4a-phenyloctahydro-6(2H)-isoquinolinone trans-6-oxo-2-methyl-4a-phenyldecahydroisoquinoline
Wiley ID 1246234