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Cycloheptanone, 2-(4-nitro-1-oxobutyl)-
SpectraBase Compound ID LM8vhmN7Zde
InChI InChI=1S/C11H17NO4/c13-10-6-3-1-2-5-9(10)11(14)7-4-8-12(15)16/h9H,1-8H2
InChIKey RIDNNZXUQKGGAO-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 FCjriLfS4RI
Name Cycloheptanone, 2-(4-nitro-1-oxobutyl)-
Alternate Name(s) 2-(4'-Nitrobutyryl)cycloheptanone 2-(4-Nitrobutanoyl)cycloheptanone
CAS Registry Number 79630-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c13-10-6-3-1-2-5-9(10)11(14)7-4-8-12(15)16/h9H,1-8H2
InChIKey RIDNNZXUQKGGAO-UHFFFAOYSA-N
Molecular Weight 227.260 g/mol
SMILES C(N(=O)=O)CCC(C1C(=O)CCCCC1)=O
SPLASH splash10-05n3-9500000000-7e2570df7eda2655f694
Source of Spectrum H-64-732-0
Wiley ID 1228485