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(7S)-Hydroxy-(3R)-isopropyl-(8aS)-methyl-6-oxo-1,2,3,4,6,7,8,8a-octahydronaphthalene-(1R)-carbonitrile
SpectraBase Compound ID 1JASijDXSI7
InChI InChI=1S/C15H21NO2/c1-9(2)10-4-11-6-13(17)14(18)7-15(11,3)12(5-10)8-16/h6,9-10,12,14,18H,4-5,7H2,1-3H3/t10-,12-,14-,15+/m0/s1
InChIKey CQALCCXRCCIOPX-HQRZJTNHSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hFoJamvaFZ
Name (7S)-Hydroxy-(3R)-isopropyl-(8aS)-methyl-6-oxo-1,2,3,4,6,7,8,8a-octahydronaphthalene-(1R)-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-9(2)10-4-11-6-13(17)14(18)7-15(11,3)12(5-10)8-16/h6,9-10,12,14,18H,4-5,7H2,1-3H3/t10-,12-,14-,15+/m0/s1
InChIKey CQALCCXRCCIOPX-HQRZJTNHSA-N
Molecular Weight 247.338 g/mol
SMILES O[C@@]1(C(C=C2[C@]([C@](C#N)(C[C@](C2)(C(C)C)[H])[H])(C1)C)=O)[H]
SPLASH splash10-0udi-1190000000-d0062e1af674f53b50c1
Source of Spectrum KD-14-2284-13
Synonyms (1R,3R,7S,8aS)-7-hydroxy-3-isopropyl-8a-methyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-1-naphthalenecarbonitrile 1-Naphthalenecarbonitrile
Wiley ID 1636192