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Cyclohexanone, 4-methyl-2-(4-nitro-1-oxobutyl)-
SpectraBase Compound ID EUWumUW5DET
InChI InChI=1S/C11H17NO4/c1-8-4-5-11(14)9(7-8)10(13)3-2-6-12(15)16/h8-9H,2-7H2,1H3
InChIKey KEHJVRVPXGEMCB-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C11H17NO4
Exact Mass 227.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AStNm1Z573w
Name Cyclohexanone, 4-methyl-2-(4-nitro-1-oxobutyl)-
Alternate Name(s) 4-Methyl-2-(4'-nitrobutyryl)cyclohexanone 4-Methyl-2-(4-nitrobutanoyl)cyclohexanone
CAS Registry Number 79630-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-8-4-5-11(14)9(7-8)10(13)3-2-6-12(15)16/h8-9H,2-7H2,1H3
InChIKey KEHJVRVPXGEMCB-UHFFFAOYSA-N
Molecular Weight 227.260 g/mol
SMILES C(N(=O)=O)CCC(C1C(=O)CCC(C1)C)=O
SPLASH splash10-000l-8900000000-4c36e890f2ec2ecb4b74
Source of Spectrum H-64-731-0
Wiley ID 1228483