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1H-Inden-1-one, octahydro-4-methoxy-7a-methyl-3a-(methyl-D3)-, (3a.alpha.,4.beta.,7a.beta.)-
SpectraBase Compound ID ImG4mSBls8c
InChI InChI=1S/C12H20O2/c1-11-7-4-5-10(14-3)12(11,2)8-6-9(11)13/h10H,4-8H2,1-3H3/t10-,11+,12-/m0/s1/i2D3
InChIKey IWGUAMJFIHYKQC-VQNRWZNNSA-N
Mol Weight 199.31 g/mol
Molecular Formula C12H172D3O2
Exact Mass 199.16516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJ7eTUgeeR1
Name 1H-Inden-1-one, octahydro-4-methoxy-7a-methyl-3a-(methyl-D3)-, (3a.alpha.,4.beta.,7a.beta.)-
CAS Registry Number 71277-36-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17D3O2
InChI InChI=1S/C12H20O2/c1-11-7-4-5-10(14-3)12(11,2)8-6-9(11)13/h10H,4-8H2,1-3H3/t10-,11+,12-/m0/s1/i2D3
InChIKey IWGUAMJFIHYKQC-VQNRWZNNSA-N
Molecular Weight 199.308 g/mol
SMILES [C@]12([C@@](C(=O)CC2)(CCC[C@@]1(OC)[H])C)C([2D])([2D])[2D]
SPLASH splash10-0100-3900000000-79a76aea3691157a67a9
Source of Spectrum J-44-3669-0
Synonyms (3a.alpha.,4.beta.,7a.beta.)-Octahydro-4-methoxy-7a-methyl-3a-(methyl-D3)-1H-inden-1-one
Wiley ID 91507