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1H-Inden-1-one, octahydro-4-hydroxy-7a-methyl-3a-(methyl-D3)-, (3a.alpha.,4.beta.,7a.beta.)-
SpectraBase Compound ID C2LrrO8mrj9
InChI InChI=1S/C11H18O2/c1-10-6-3-4-8(12)11(10,2)7-5-9(10)13/h8,12H,3-7H2,1-2H3/t8-,10+,11-/m0/s1/i2D3
InChIKey NMKDLFHRWGOBSA-CIKWJEOFSA-N
Mol Weight 185.28 g/mol
Molecular Formula C11H152D3O2
Exact Mass 185.14951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HJBtWWMDgY
Name 1H-Inden-1-one, octahydro-4-hydroxy-7a-methyl-3a-(methyl-D3)-, (3a.alpha.,4.beta.,7a.beta.)-
CAS Registry Number 71277-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15D3O2
InChI InChI=1S/C11H18O2/c1-10-6-3-4-8(12)11(10,2)7-5-9(10)13/h8,12H,3-7H2,1-2H3/t8-,10+,11-/m0/s1/i2D3
InChIKey NMKDLFHRWGOBSA-CIKWJEOFSA-N
Molecular Weight 185.281 g/mol
SMILES O[C@@]1([C@]2([C@@](C(=O)CC2)(CCC1)C)C([2D])([2D])[2D])[H]
SPLASH splash10-03di-9800000000-f82e0077a98fbb2ed87d
Source of Spectrum J-44-3669-0
Synonyms (3a.alpha.,4.beta.,7a.beta.)-Octahydro-4-hydroxy-7a-methyl-3a-(methyl-D3)-1H-inden-1-one
Wiley ID 88939