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2-Methyl-6-(4-nitrobutanoyl)cyclohexanone
SpectraBase Compound ID 9JsWU1TOgzQ
InChI InChI=1S/C11H17NO4/c1-8-4-2-5-9(11(8)14)10(13)6-3-7-12(15)16/h8-9H,2-7H2,1H3
InChIKey ZLXYOTHVTKYGJJ-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 Gjl63Ru7pvR
Name 2-Methyl-6-(4-nitrobutanoyl)cyclohexanone
CAS Registry Number 79630-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-8-4-2-5-9(11(8)14)10(13)6-3-7-12(15)16/h8-9H,2-7H2,1H3
InChIKey ZLXYOTHVTKYGJJ-UHFFFAOYSA-N
Molecular Weight 227.260 g/mol
SMILES C1CC(C(C(C)C1)=O)C(=O)CCCN(=O)=O
SPLASH splash10-000l-9800000000-ac30908ae04107040690
Synonyms 2-Methyl-6-(4-nitro-1-oxobutyl)-1-cyclohexanone 2-Methyl-6-(4-nitrobutanoyl)cyclohexan-1-one Cyclohexanone, 2-methyl-6-(4-nitro-1-oxobutyl)-
Wiley ID 1488246