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3-(1'-NITRO-2'-OXO-CYCLOHEXYL)-PROPANAL
SpectraBase Compound ID 9DqCTYCG4qI
InChI InChI=1S/C9H13NO4/c11-7-3-6-9(10(13)14)5-2-1-4-8(9)12/h7H,1-6H2
InChIKey LDZQEEHGHPAGNN-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C9H13NO4
Exact Mass 199.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OrrpEnx4pL
Name 3-(1-Nitro-2-oxocyclohexyl)propanal
Alternate Name(s) 3-(1-nitro-2-oxo-cyclohexyl)propanal 3-(1-nitro-2-oxidanylidene-cyclohexyl)propanal
CAS Registry Number 95338-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO4
InChI InChI=1S/C9H13NO4/c11-7-3-6-9(10(13)14)5-2-1-4-8(9)12/h7H,1-6H2
InChIKey LDZQEEHGHPAGNN-UHFFFAOYSA-N
Molecular Weight 199.206 g/mol
SMILES C1(N(=O)=O)(C(=O)CCCC1)CCC=O
SPLASH splash10-052f-9000000000-6aa250d1f08235cd90d5
Source of Spectrum H-67-1718-0
Wiley ID 1196560