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3(2H)-Isoquinolinone, octahydro-4a-phenyl-, trans-
SpectraBase Compound ID 4o2t4xFPHbP
InChI InChI=1S/C15H19NO/c17-14-10-15(12-6-2-1-3-7-12)9-5-4-8-13(15)11-16-14/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)/t13-,15-/m1/s1
InChIKey AIQHTEDNOXTEND-UKRRQHHQSA-N
Mol Weight 229.32 g/mol
Molecular Formula C15H19NO
Exact Mass 229.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1hFhVUDHxB
Name 3(2H)-Isoquinolinone, octahydro-4a-phenyl-, trans-
CAS Registry Number 117661-09-3
Comments Less than 3 mono-isotopic peaks
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Formula C15H19NO
InChI InChI=1S/C15H19NO/c17-14-10-15(12-6-2-1-3-7-12)9-5-4-8-13(15)11-16-14/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)/t13-,15-/m1/s1
InChIKey AIQHTEDNOXTEND-UKRRQHHQSA-N
Molecular Weight 229.323 g/mol
SMILES N1C(C[C@@]2([C@@](C1)(CCCC2)[H])c1ccccc1)=O
SPLASH splash10-0ufr-0890000000-07486da6b909999c6b34
Source of Spectrum F-44-1571-13
Synonyms (4aS,8aS)-4a-phenyloctahydro-3(2H)-isoquinolinone 4a-phenyl-3-oxo-transdecahydroisoquinoline
Wiley ID 1230942