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(6-oxidanylidenecyclohexen-1-yl) 4-nitrobenzoate
SpectraBase Compound ID GcCbTNphZEq
InChI InChI=1S/C13H11NO5/c15-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)14(17)18/h4-8H,1-3H2
InChIKey NNHSFQYSIGPPFO-UHFFFAOYSA-N
Mol Weight 261.23 g/mol
Molecular Formula C13H11NO5
Exact Mass 261.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAY7afmch7R
Name (6-oxidanylidenecyclohexen-1-yl) 4-nitrobenzoate
Alternate Name(s) (6-oxocyclohexen-1-yl) 4-nitrobenzoate 4-Nitrobenzoic acid (6-ketocyclohexen-1-yl) ester 4-Nitrobenzoic acid (6-oxo-1-cyclohexenyl) ester
CAS Registry Number 66049-46-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO5
InChI InChI=1S/C13H11NO5/c15-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)14(17)18/h4-8H,1-3H2
InChIKey NNHSFQYSIGPPFO-UHFFFAOYSA-N
Molecular Weight 261.233 g/mol
SMILES c1(N(=O)=O)ccc(C(OC=2C(=O)CCCC2)=O)cc1
SPLASH splash10-0udi-1900000000-27b71bcab1bd684597c5
Source of Spectrum KC-1977-17-1896
Wiley ID 1264629