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Cyclohexanone, 4-(1,1-dimethylethyl)-2-methyl-2-nitro-, trans-
SpectraBase Compound ID 3WVfQzAWOJo
InChI InChI=1S/C11H19NO3/c1-10(2,3)8-5-6-9(13)11(4,7-8)12(14)15/h8H,5-7H2,1-4H3/t8-,11-/m1/s1
InChIKey NKNPOEUXBTWCCZ-LDYMZIIASA-N
Mol Weight 213.28 g/mol
Molecular Formula C11H19NO3
Exact Mass 213.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G43TQt599x6
Name Cyclohexanone, 4-(1,1-dimethylethyl)-2-methyl-2-nitro-, trans-
Alternate Name(s) (2R,4R)-4-tert-butyl-2-methyl-2-nitrocyclohexanone cis-2-methyl-4-tert-butyl-2-nitrocyclohexanone
CAS Registry Number 77507-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19NO3
InChI InChI=1S/C11H19NO3/c1-10(2,3)8-5-6-9(13)11(4,7-8)12(14)15/h8H,5-7H2,1-4H3/t8-,11-/m1/s1
InChIKey NKNPOEUXBTWCCZ-LDYMZIIASA-N
Molecular Weight 213.277 g/mol
SMILES [C@]1(N(=O)=O)(C[C@](C(C)(C)C)(CCC1=O)[H])C
SPLASH splash10-0a4i-9100000000-e47ed5d38a9226eb6305
Source of Spectrum O-21-767-9
Wiley ID 1212555