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(2S,6R)-2-methyl-6-nitrocyclohexan-1-one
SpectraBase Compound ID 9LqI7xnsvzL
InChI InChI=1S/C7H11NO3/c1-5-3-2-4-6(7(5)9)8(10)11/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey HYCOIAFXVYRZBA-NTSWFWBYSA-N
Mol Weight 157.17 g/mol
Molecular Formula C7H11NO3
Exact Mass 157.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2on92FHQndW
Name Cyclohexanone, 2-methyl-6-nitro-, cis-
Alternate Name(s) (2S,6R)-2-methyl-6-nitro-1-cyclohexanone (2S,6R)-2-methyl-6-nitro-cyclohexan-1-one (2S,6R)-2-methyl-6-nitro-cyclohexanone
CAS Registry Number 80594-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO3
InChI InChI=1S/C7H11NO3/c1-5-3-2-4-6(7(5)9)8(10)11/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey HYCOIAFXVYRZBA-NTSWFWBYSA-N
Molecular Weight 157.169 g/mol
SMILES [C@@]1(N(=O)=O)(C(=O)[C@@](C)(CCC1)[H])[H]
SPLASH splash10-0a59-9000000000-5d26101375f5a6ef8c08
Source of Spectrum O-21-767-2
Wiley ID 1154586