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7.alpha.-ethyl-2,6,6-trimethyl-cis-perhydroisoindol-5-one
SpectraBase Compound ID IvL1c4IGALQ
InChI InChI=1S/C13H23NO/c1-5-11-10-8-14(4)7-9(10)6-12(15)13(11,2)3/h9-11H,5-8H2,1-4H3/t9-,10+,11-/m1/s1
InChIKey XOEDWYVOPUPORS-OUAUKWLOSA-N
Mol Weight 209.33 g/mol
Molecular Formula C13H23NO
Exact Mass 209.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dirdE4RrQ5
Name 7.alpha.-ethyl-2,6,6-trimethyl-cis-perhydroisoindol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NO
InChI InChI=1S/C13H23NO/c1-5-11-10-8-14(4)7-9(10)6-12(15)13(11,2)3/h9-11H,5-8H2,1-4H3/t9-,10+,11-/m1/s1
InChIKey XOEDWYVOPUPORS-OUAUKWLOSA-N
Molecular Weight 209.333 g/mol
SMILES C1(C(C[C@]2([C@@]([C@]1(CC)[H])(CN(C)C2)[H])[H])=O)(C)C
SPLASH splash10-0a59-9720000000-58ec3c8cbd61435fe964
Source of Spectrum B-29-1973-0
Synonyms (3aS,7R,7aR)-7-ethyl-2,6,6-trimethyloctahydro-5H-isoindol-5-one 7a-ethyl-2,6,6-trimethyl-cis-perhydroisoindol-5-one
Wiley ID 1208286