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2-NITRO-2-(3'-OXO-BUTYL)-CYCLOOCTANONE
SpectraBase Compound ID Ewezm4OjV4X
InChI InChI=1S/C12H19NO4/c1-10(14)7-9-12(13(16)17)8-5-3-2-4-6-11(12)15/h2-9H2,1H3
InChIKey ZYVNCLUZEDJYKV-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 BEK5yoOrIXy
Name Cyclooctanone, 2-nitro-2-(3-oxobutyl)-
Alternate Name(s) 2-Nitro-2-(3-oxobutyl)cyclooctanone 4-(1'-Nitro-2'-oxocyclooctyl)-2-butanone
CAS Registry Number 86572-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-10(14)7-9-12(13(16)17)8-5-3-2-4-6-11(12)15/h2-9H2,1H3
InChIKey ZYVNCLUZEDJYKV-UHFFFAOYSA-N
Molecular Weight 241.287 g/mol
SMILES C1(N(=O)=O)(C(=O)CCCCCC1)CCC(=O)C
SPLASH splash10-0007-9000000000-ce627a0ebe4dea56a028
Source of Spectrum H-66-854-0
Wiley ID 1243986