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2-(4-Nitrobutanoyl)cyclooctanone
SpectraBase Compound ID wp3veKh5gX
InChI InChI=1S/C12H19NO4/c14-11-7-4-2-1-3-6-10(11)12(15)8-5-9-13(16)17/h10H,1-9H2
InChIKey LXWGXEJSEKQLIG-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JByVcpIY9cA
Name 2-(4-Nitrobutanoyl)cyclooctanone
CAS Registry Number 79630-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c14-11-7-4-2-1-3-6-10(11)12(15)8-5-9-13(16)17/h10H,1-9H2
InChIKey LXWGXEJSEKQLIG-UHFFFAOYSA-N
Molecular Weight 241.287 g/mol
SMILES C1(C(=O)CCCN(=O)=O)C(=O)CCCCCC1
SPLASH splash10-0pc4-9500000000-2be9f4270f1f784b2205
Source of Spectrum H-64-732-0
Synonyms 2-(4-nitro-1-oxobutyl)-1-cyclooctanone 2-(4-nitrobutanoyl)cyclooctan-1-one
Wiley ID 1243990