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2-NITRO-2-(3'-OXO-BUTYL)-CYCLOHEPTANONE
SpectraBase Compound ID GyC559pe2eX
InChI InChI=1S/C11H17NO4/c1-9(13)6-8-11(12(15)16)7-4-2-3-5-10(11)14/h2-8H2,1H3
InChIKey GMZMSYOOJCICQO-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 B4UqO01G1bt
Name 2-(3-ketobutyl)-2-nitro-cycloheptanone
Alternate Name(s) 2-Nitro-2-(3-oxidanylidenebutyl)cycloheptan-1-one 2-Nitro-2-(3-oxobutyl)-1-cycloheptanone 2-Nitro-2-(3-oxobutyl)cycloheptan-1-one 2-Nitro-2-(3-oxobutyl)cycloheptanone
CAS Registry Number 86572-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-9(13)6-8-11(12(15)16)7-4-2-3-5-10(11)14/h2-8H2,1H3
InChIKey GMZMSYOOJCICQO-UHFFFAOYSA-N
Molecular Weight 227.260 g/mol
SMILES C1(N(=O)=O)(C(=O)CCCCC1)CCC(=O)C
SPLASH splash10-0006-9000000000-fc738a51aef03362a742
Source of Spectrum H-66-1523-0
Wiley ID 1228488