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1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-6-methoxy-4-methyl-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-

View entire compound with spectra: 1 MS (GC)

1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-6-methoxy-4-methyl-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID 8sGzX311IUW
InChI InChI=1S/C17H21NO3/c1-11-14-10-18(9-12-6-4-3-5-7-12)17(20)13(14)8-15(21-2)16(11)19/h3-8,11,14-16,19H,9-10H2,1-2H3/t11-,14-,15+,16+/m0/s1
InChIKey SSORVOKJSBEEIF-DANNLKNASA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8m4WfBnwyFR
Name 1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-6-methoxy-4-methyl-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
CAS Registry Number 114431-41-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-11-14-10-18(9-12-6-4-3-5-7-12)17(20)13(14)8-15(21-2)16(11)19/h3-8,11,14-16,19H,9-10H2,1-2H3/t11-,14-,15+,16+/m0/s1
InChIKey SSORVOKJSBEEIF-DANNLKNASA-N
Molecular Weight 287.359 g/mol
SMILES O[C@]1([C@@](C=C2C(N(Cc3ccccc3)C[C@]2([C@@]1(C)[H])[H])=O)(OC)[H])[H]
SPLASH splash10-0006-9130000000-06991b165366aa882c5c
Source of Spectrum AJ-60-3265-9
Synonyms (3aS,4S,5R,6R)-2-benzyl-5-hydroxy-6-methoxy-4-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one 3a,4,5,6-tetrahydro-2-benzyl-4-methyl-5-hydroxy-6-methoxy-1-isoindolinone
Wiley ID 1290924