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2-[(N-morpholinyl)ethy-2,3,3a,4,5,6,7,7a-Octahydro-1-oxo-3-(p-tolyl)-1H-isoindole
SpectraBase Compound ID 9NvvMgxGBmA
InChI InChI=1S/C21H30N2O2/c1-16-6-8-17(9-7-16)20-18-4-2-3-5-19(18)21(24)23(20)11-10-22-12-14-25-15-13-22/h6-9,18-20H,2-5,10-15H2,1H3/t18-,19+,20-/m1/s1
InChIKey XKMQLQYIJJWYNT-HSALFYBXSA-N
Mol Weight 342.48 g/mol
Molecular Formula C21H30N2O2
Exact Mass 342.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvQLvvBgdwd
Name 2-[(N-morpholinyl)ethy-2,3,3a,4,5,6,7,7a-Octahydro-1-oxo-3-(p-tolyl)-1H-isoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O2
InChI InChI=1S/C21H30N2O2/c1-16-6-8-17(9-7-16)20-18-4-2-3-5-19(18)21(24)23(20)11-10-22-12-14-25-15-13-22/h6-9,18-20H,2-5,10-15H2,1H3/t18-,19+,20-/m1/s1
InChIKey XKMQLQYIJJWYNT-HSALFYBXSA-N
Molecular Weight 342.483 g/mol
SMILES C1(N([C@@]([C@@]2(CCCC[C@]12[H])[H])(c1ccc(cc1)C)[H])CCN1CCOCC1)=O
SPLASH splash10-0udi-0900000000-2715268bddf93281f86e
Source of Spectrum H1-36-1821-4
Synonyms (3S,3aR,7aS)-2-(2-Morpholin-4-yl-ethyl)-3-p-tolyl-octahydro-isoindol-1-one
Wiley ID 755255