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1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-4-methyl-6-(pentyloxy)-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-4-methyl-6-(pentyloxy)-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID CGB4A4hQxDE
InChI InChI=1S/C21H29NO3/c1-3-4-8-11-25-19-12-17-18(15(2)20(19)23)14-22(21(17)24)13-16-9-6-5-7-10-16/h5-7,9-10,12,15,18-20,23H,3-4,8,11,13-14H2,1-2H3/t15-,18-,19+,20+/m0/s1
InChIKey YEFUAQAHTIGQGM-KCUHQSDYSA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTmTAgzX0Gi
Name 1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5-hydroxy-4-methyl-6-(pentyloxy)-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
Alternate Name(s) (3aS,4S,5R,6R)-2-benzyl-5-hydroxy-4-methyl-6-(pentyloxy)-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one 3a,4,5,6-tetrahydro-2-benzyl-4-methyl-5-hydroxy-6-pentyloxy-1-isoindolinone
CAS Registry Number 114431-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-3-4-8-11-25-19-12-17-18(15(2)20(19)23)14-22(21(17)24)13-16-9-6-5-7-10-16/h5-7,9-10,12,15,18-20,23H,3-4,8,11,13-14H2,1-2H3/t15-,18-,19+,20+/m0/s1
InChIKey YEFUAQAHTIGQGM-KCUHQSDYSA-N
Molecular Weight 343.467 g/mol
SMILES O[C@]1([C@@](C=C2C(N(Cc3ccccc3)C[C@]2([C@@]1(C)[H])[H])=O)(OCCCCC)[H])[H]
SPLASH splash10-0006-9010000000-2f58a194f868c434e27e
Source of Spectrum AJ-60-3265-10
Wiley ID 1337409