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1(2H)-Naphthalenone, octahydro-4a-hydroxy-7-methyl-4-nitro-, (4.alpha.,4a.alpha.,7.alpha.,8a.beta.)-
SpectraBase Compound ID F2MFfSj2oz5
InChI InChI=1S/C11H17NO4/c1-7-4-5-11(14)8(6-7)9(13)2-3-10(11)12(15)16/h7-8,10,14H,2-6H2,1H3
InChIKey XBFCDMSBYOKDLU-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C11H17NO4
Exact Mass 227.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wVnTEubisv
Name 1(2H)-Naphthalenone, octahydro-4a-hydroxy-7-methyl-4-nitro-, (4.alpha.,4a.alpha.,7.alpha.,8a.beta.)-
CAS Registry Number 79880-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-7-4-5-11(14)8(6-7)9(13)2-3-10(11)12(15)16/h7-8,10,14H,2-6H2,1H3
InChIKey XBFCDMSBYOKDLU-UHFFFAOYSA-N
Molecular Weight 227.260 g/mol
SMILES OC12C(CC(CC2)C)C(=O)CCC1N(=O)=O
SPLASH splash10-05al-8900000000-6c6a80e86b09125f0e43
Source of Spectrum H-64-750-0
Synonyms 4a-Hydroxy-7-methyl-4-nitrooctahydro-1(2H)-naphthalenone 4a-hydroxy-7-methyl-4-nitro-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one 4a-hydroxy-7-methyl-4-nitro-decalin-1-one 7-Methyl-4-nitro-4a-oxidanyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
Wiley ID 1228494