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1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5,6-dihydroxy-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-5,6-dihydroxy-4-methyl-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID GgLLlhsOWuT
InChI InChI=1S/C16H19NO3/c1-10-13-9-17(8-11-5-3-2-4-6-11)16(20)12(13)7-14(18)15(10)19/h2-7,10,13-15,18-19H,8-9H2,1H3/t10-,13-,14+,15+/m0/s1
InChIKey RUWFZPFFBLBTND-BSLXNSKLSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1h7PD1SuNj
Name 1H-Isoindol-1-one, 2,3,3a,4,5,6-hexahydro-5,6-dihydroxy-4-methyl-2-(phenylmethyl)-, (3a.alpha.,4.alpha.,5.beta.,6.alpha.)-
CAS Registry Number 114431-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-10-13-9-17(8-11-5-3-2-4-6-11)16(20)12(13)7-14(18)15(10)19/h2-7,10,13-15,18-19H,8-9H2,1H3/t10-,13-,14+,15+/m0/s1
InChIKey RUWFZPFFBLBTND-BSLXNSKLSA-N
Molecular Weight 273.332 g/mol
SMILES O[C@]1([C@@]([C@]([C@@]2(CN(C(C2=C1)=O)Cc1ccccc1)[H])(C)[H])(O)[H])[H]
SPLASH splash10-0006-9040000000-fad25c75cfdae01fd679
Source of Spectrum AJ-60-3265-11
Synonyms (3aS,4S,5R,6R)-2-benzyl-5,6-dihydroxy-4-methyl-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one 3a,4,5,6-tetrahydro-2-benzyl-4-methyl-5,6-dihydroxy-1-isoindolinone
Wiley ID 1277326