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2H-Inden-2-one, octahydro-1-hydroxy-1-methyl-7a-nitro-, (1.alpha.,3a.alpha.,7a.alpha.)-
SpectraBase Compound ID 91DxRANDfKo
InChI InChI=1S/C10H15NO4/c1-9(13)8(12)6-7-4-2-3-5-10(7,9)11(14)15/h7,13H,2-6H2,1H3/t7-,9+,10+/m1/s1
InChIKey LQYDBDSQSZPSGI-JEZHCXPESA-N
Mol Weight 213.23 g/mol
Molecular Formula C10H15NO4
Exact Mass 213.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CZ2tO1J9pT
Name 2H-Inden-2-one, octahydro-1-hydroxy-1-methyl-7a-nitro-, (1.alpha.,3a.alpha.,7a.alpha.)-
CAS Registry Number 121590-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NO4
InChI InChI=1S/C10H15NO4/c1-9(13)8(12)6-7-4-2-3-5-10(7,9)11(14)15/h7,13H,2-6H2,1H3/t7-,9+,10+/m1/s1
InChIKey LQYDBDSQSZPSGI-JEZHCXPESA-N
Molecular Weight 213.233 g/mol
SMILES O[C@@]1([C@@]2(N(=O)=O)[C@@](CC1=O)(CCCC2)[H])C
SPLASH splash10-0006-9300000000-1956698d692dafedc438
Source of Spectrum F-44-6927-9
Synonyms (1R,3aR,7aS)-1-hydroxy-1-methyl-7a-nitrooctahydro-2H-inden-2-one [1R*-(1.alpha.,3a.alpha.,7a.alpha.)]-1-hydroxy-1-methyl-7a-nitro-octahydro-2H-inden-2-one
Wiley ID 1212476