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1,3-Cyclohexanediol, 2-nitro-, 1-acetate, [1S-(1.alpha.,2.beta.,3.alpha.)]-
SpectraBase Compound ID 8njCtx9ddBP
InChI InChI=1S/C8H13NO5/c1-5(10)14-7-4-2-3-6(11)8(7)9(12)13/h6-8,11H,2-4H2,1H3/t6-,7+,8+/m1/s1
InChIKey CIVMRRCEEWJXAY-CSMHCCOUSA-N
Mol Weight 203.19 g/mol
Molecular Formula C8H13NO5
Exact Mass 203.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKoc0hKwAB9
Name 1,3-Cyclohexanediol, 2-nitro-, 1-acetate, [1S-(1.alpha.,2.beta.,3.alpha.)]-
CAS Registry Number 108186-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO5
InChI InChI=1S/C8H13NO5/c1-5(10)14-7-4-2-3-6(11)8(7)9(12)13/h6-8,11H,2-4H2,1H3/t6-,7+,8+/m1/s1
InChIKey CIVMRRCEEWJXAY-CSMHCCOUSA-N
Molecular Weight 203.194 g/mol
SMILES O[C@]1([C@](N(=O)=O)([C@@](OC(=O)C)(CCC1)[H])[H])[H]
SPLASH splash10-0006-9000000000-80ea2edec264b1b6899d
Source of Spectrum H-71-12-6
Synonyms Acetic acid[(1S,2S,3R)-3-hydroxy-2-nitro-cyclohexyl]ester [(1S,2S,3R)-2-nitro-3-oxidanyl-cyclohexyl]ethanoate [(1S,2S,3R)-3-hydroxy-2-nitro-cyclohexyl]acetate Acetic acid [(1S,2S,3R)-3-hydroxy-2-nitrocyclohexyl] ester [(1S,2S,3R)-3-hydroxy-2-nitrocyclohexyl] acetate [(1S,2S,3R)-3-hydroxy-2-nitro-cyclohexyl] acetate [(1S,2S,3R)-2-nitro-3-oxidanyl-cyclohexyl] ethanoate
Wiley ID 1200578