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Cyclohexanone, 3,5,5-trimethyl-2-nitro-, trans-
SpectraBase Compound ID 3Y6JE4p7VsF
InChI InChI=1S/C9H15NO3/c1-6-4-9(2,3)5-7(11)8(6)10(12)13/h6,8H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKey BMLDIOZTYLEOBJ-POYBYMJQSA-N
Mol Weight 185.22 g/mol
Molecular Formula C9H15NO3
Exact Mass 185.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8I5W1BFRz6f
Name Cyclohexanone, 3,5,5-trimethyl-2-nitro-, trans-
CAS Registry Number 74609-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO3
InChI InChI=1S/C9H15NO3/c1-6-4-9(2,3)5-7(11)8(6)10(12)13/h6,8H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKey BMLDIOZTYLEOBJ-POYBYMJQSA-N
Molecular Weight 185.223 g/mol
SMILES [C@@]1(N(=O)=O)(C(CC(C[C@@]1(C)[H])(C)C)=O)[H]
SPLASH splash10-0a59-9100000000-4695fff8e645c77942d7
Source of Spectrum O-21-767-5
Wiley ID 1181838