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3,6-Dimethyl-7-nitro-1-oxo-1H-isochromen-8-yl acetate
SpectraBase Compound ID DisSmZCw3rx
InChI InChI=1S/C13H11NO6/c1-6-4-9-5-7(2)19-13(16)10(9)12(20-8(3)15)11(6)14(17)18/h4-5H,1-3H3
InChIKey GNABCWNAWRSWAD-UHFFFAOYSA-N
Mol Weight 277.23 g/mol
Molecular Formula C13H11NO6
Exact Mass 277.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lf5lvp0k42B
Name 3,6-Dimethyl-7-nitro-1-oxo-1H-isochromen-8-yl acetate
Alternate Name(s) (3,6-dimethyl-7-nitro-1-oxidanylidene-isochromen-8-yl) ethanoate (3,6-dimethyl-7-nitro-1-oxo-isochromen-8-yl) acetate 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro- Acetic acid (1-keto-3,6-dimethyl-7-nitro-isochromen-8-yl) ester Acetic acid (3,6-dimethyl-7-nitro-1-oxo-2-benzopyran-8-yl) ester
CAS Registry Number 89586-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO6
InChI InChI=1S/C13H11NO6/c1-6-4-9-5-7(2)19-13(16)10(9)12(20-8(3)15)11(6)14(17)18/h4-5H,1-3H3
InChIKey GNABCWNAWRSWAD-UHFFFAOYSA-N
Molecular Weight 277.232 g/mol
SMILES Cc1c(c(c2c(c1)C=C(OC2=O)C)OC(=O)C)N(=O)=O
SPLASH splash10-002o-9530000000-f33a475e32324ed7a3da
Wiley ID 1489666