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4-Methyl-1,3-bis(4-methylphenyl)-4-nitro-1-pentanone
SpectraBase Compound ID 9wwdBN3LWKC
InChI InChI=1S/C20H23NO3/c1-14-5-9-16(10-6-14)18(20(3,4)21(23)24)13-19(22)17-11-7-15(2)8-12-17/h5-12,18H,13H2,1-4H3
InChIKey VHKHQUDTIHUHRR-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyHas0uHZJu
Name 4-Methyl-1,3-bis(4-methylphenyl)-4-nitro-1-pentanone
Alternate Name(s) 4-Methyl-1,3-bis(4-methylphenyl)-4-nitropentan-1-one 4-Methyl-1,3-bis(4-methylphenyl)-4-nitro-pentan-1-one
CAS Registry Number 116509-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-14-5-9-16(10-6-14)18(20(3,4)21(23)24)13-19(22)17-11-7-15(2)8-12-17/h5-12,18H,13H2,1-4H3
InChIKey VHKHQUDTIHUHRR-UHFFFAOYSA-N
Molecular Weight 325.408 g/mol
SMILES C(N(=O)=O)(C(CC(c1ccc(cc1)C)=O)c1ccc(cc1)C)(C)C
SPLASH splash10-016r-3940000000-81eea800aa181cd21a2e
Source of Spectrum B-41-190-3
Wiley ID 1324152