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2-(3-Hydroxy-2-nitro-1-phenylbutyl)cyclohexanone
SpectraBase Compound ID HAvM79vIV5D
InChI InChI=1S/C16H21NO4/c1-11(18)16(17(20)21)15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)19/h2-4,7-8,11,13,15-16,18H,5-6,9-10H2,1H3
InChIKey RBUHIDZBXJBJOW-UHFFFAOYSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcUm5mfFtuc
Name 2-(3-Hydroxy-2-nitro-1-phenylbutyl)cyclohexanone
Alternate Name(s) 2-(2-nitro-3-oxidanyl-1-phenyl-butyl)cyclohexan-1-one 2-(3-hydroxy-2-nitro-1-phenylbutyl)-1-cyclohexanone 2-(3-hydroxy-2-nitro-1-phenylbutyl)cyclohexan-1-one
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Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-11(18)16(17(20)21)15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)19/h2-4,7-8,11,13,15-16,18H,5-6,9-10H2,1H3
InChIKey RBUHIDZBXJBJOW-UHFFFAOYSA-N
Molecular Weight 291.347 g/mol
SMILES OC(C(C(C1CCCCC1=O)c1ccccc1)N(=O)=O)C
SPLASH splash10-0007-7910000000-58f090f4dcd4a4cdddd7
Wiley ID 1480670