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2-(6-Nitro-1,3-benzodioxol-5-yl)cyclohexanone

View entire compound with spectra: 1 MS (GC)

2-(6-Nitro-1,3-benzodioxol-5-yl)cyclohexanone
SpectraBase Compound ID I2WF7JQdrKY
InChI InChI=1S/C13H13NO5/c15-11-4-2-1-3-8(11)9-5-12-13(19-7-18-12)6-10(9)14(16)17/h5-6,8H,1-4,7H2
InChIKey GHBJGBIMSYKHHM-UHFFFAOYSA-N
Mol Weight 263.25 g/mol
Molecular Formula C13H13NO5
Exact Mass 263.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xeTrA20fpT
Name 2-(6-Nitro-1,3-benzodioxol-5-yl)cyclohexanone
Alternate Name(s) 2-(6-nitro-1,3-benzodioxol-5-yl)-1-cyclohexanone 2-(6-nitro-1,3-benzodioxol-5-yl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO5
InChI InChI=1S/C13H13NO5/c15-11-4-2-1-3-8(11)9-5-12-13(19-7-18-12)6-10(9)14(16)17/h5-6,8H,1-4,7H2
InChIKey GHBJGBIMSYKHHM-UHFFFAOYSA-N
Molecular Weight 263.249 g/mol
SMILES c1(N(=O)=O)c(cc2c(c1)OCO2)C1C(=O)CCCC1
SPLASH splash10-014i-3490000000-e4703b8736eb117c6997
Source of Spectrum SO-0-848-5
Wiley ID 863894