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Propanoic acid, 2,2-dimethyl-, 5-methyl-2-nitro-2-cyclohexen-1-yl ester, (1R-cis)-
SpectraBase Compound ID 5J0tOCL0OUE
InChI InChI=1S/C12H19NO4/c1-8-5-6-9(13(15)16)10(7-8)17-11(14)12(2,3)4/h6,8,10H,5,7H2,1-4H3/t8-,10-/m1/s1
InChIKey KJDXKQRTDKFASO-PSASIEDQSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7dqJlmSwnT
Name Propanoic acid, 2,2-dimethyl-, 5-methyl-2-nitro-2-cyclohexen-1-yl ester, (1R-cis)-
Alternate Name(s) (1R,5R)-5-methyl-2-nitro-2-cyclohexen-1-yl pivalate [(1r',5'R)-5'-methyl-2'-nitrocyclohexyl]2,2-dimethylpropanoate [(1R,5R)-5-methyl-2-nitrocyclohexyl]pivalate
CAS Registry Number 114454-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-8-5-6-9(13(15)16)10(7-8)17-11(14)12(2,3)4/h6,8,10H,5,7H2,1-4H3/t8-,10-/m1/s1
InChIKey KJDXKQRTDKFASO-PSASIEDQSA-N
Molecular Weight 241.287 g/mol
SMILES C=1(N(=O)=O)[C@](OC(C(C)(C)C)=O)(C[C@@](CC1)(C)[H])[H]
SPLASH splash10-0a4i-9100000000-3ba76dcdd4aaf1f1a9d7
Source of Spectrum H-71-14-24
Wiley ID 1244005