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(3S,4aS,8aS)-1-methyl-3-(phenylmethyl)-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
SpectraBase Compound ID DTecfdH349a
InChI InChI=1S/C16H22N2O/c1-18-15-10-6-5-9-13(15)17-14(16(18)19)11-12-7-3-2-4-8-12/h2-4,7-8,13-15,17H,5-6,9-11H2,1H3/t13-,14-,15-/m0/s1
InChIKey HOMIOWYLJPLWPU-KKUMJFAQSA-N
Mol Weight 258.36 g/mol
Molecular Formula C16H22N2O
Exact Mass 258.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IbxZ3wNZN0
Name (3S,4aS,8aS)-1-methyl-3-(phenylmethyl)-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CAS Registry Number 114612-41-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O
InChI InChI=1S/C16H22N2O/c1-18-15-10-6-5-9-13(15)17-14(16(18)19)11-12-7-3-2-4-8-12/h2-4,7-8,13-15,17H,5-6,9-11H2,1H3/t13-,14-,15-/m0/s1
InChIKey HOMIOWYLJPLWPU-KKUMJFAQSA-N
Molecular Weight 258.365 g/mol
SMILES N1[C@](C(N([C@@]2([C@@]1(CCCC2)[H])[H])C)=O)(Cc1ccccc1)[H]
SPLASH splash10-014i-0900000000-fa141bb2be0407febd91
Source of Spectrum Y-24-1299-6
Synonyms (3S,4aS,8aS)-3-benzyl-1-methyl-3,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
Wiley ID 1262110