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(3R)-3-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butanenitrile
SpectraBase Compound ID DAtISWRmNN4
InChI InChI=1S/C14H23NO/c1-10(7-9-15)11-5-6-12-13(16)4-3-8-14(11,12)2/h10-13,16H,3-8H2,1-2H3/t10-,11-,12+,13+,14-/m1/s1
InChIKey RFRHEKQBJFFFOL-PEBLQZBPSA-N
Mol Weight 221.34 g/mol
Molecular Formula C14H23NO
Exact Mass 221.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ik8EC5ajjf3
Name (3R)-3-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23NO
InChI InChI=1S/C14H23NO/c1-10(7-9-15)11-5-6-12-13(16)4-3-8-14(11,12)2/h10-13,16H,3-8H2,1-2H3/t10-,11-,12+,13+,14-/m1/s1
InChIKey RFRHEKQBJFFFOL-PEBLQZBPSA-N
Molecular Weight 221.344 g/mol
SMILES O[C@@]1([C@]2([C@@]([C@](CC2)([C@@](CC#N)(C)[H])[H])(CCC1)C)[H])[H]
SPLASH splash10-03di-0940000000-3e31cdf1911b7f00a488
Source of Spectrum F-53-4707-13
Synonyms (3R)-3-[(1R,3aR,4S,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butyronitrile (3R)-3-[(1R,3aR,4S,7aR)-7a-methyl-4-oxidanyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]butanenitrile
Wiley ID 801415