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2H-Inden-2-one, octahydro-1-hydroxy-1-methyl-7a-nitro-, (1.alpha.,3a.beta.,7a.beta.)-
SpectraBase Compound ID HWY1e8NQQkO
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+/m0/s1
InChIKey LQYDBDSQSZPSGI-UJNFCWOMSA-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 6s1c568iMF3
Name 2H-Inden-2-one, octahydro-1-hydroxy-1-methyl-7a-nitro-, (1.alpha.,3a.beta.,7a.beta.)-
CAS Registry Number 121590-99-6
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+/m0/s1
InChIKey LQYDBDSQSZPSGI-UJNFCWOMSA-N
Molecular Weight 213.233 g/mol
SMILES O[C@@]1([C@]2(N(=O)=O)[C@](CC1=O)(CCCC2)[H])C
SPLASH splash10-0006-9200000000-d5d05686552538d6d38a
Source of Spectrum F-44-6927-10
Synonyms (1R,3aS,7aR)-1-hydroxy-1-methyl-7a-nitrooctahydro-2H-inden-2-one [1R*-(1.alpha.,3a.beta.,7a.beta.)]-1-hydroxy-1-methyl-7a-nitro-octahydro-2H-inden-2-one
Wiley ID 1212477