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Acetic acid, 6-nitro-1,3-benzodioxol-5-yl ester
SpectraBase Compound ID D5HwREL02oi
InChI InChI=1S/C9H7NO6/c1-5(11)16-7-3-9-8(14-4-15-9)2-6(7)10(12)13/h2-3H,4H2,1H3
InChIKey DECGMUJJYLXRPA-UHFFFAOYSA-N
Mol Weight 225.16 g/mol
Molecular Formula C9H7NO6
Exact Mass 225.027337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3T4nmxMorY
Name Acetic acid, 6-nitro-1,3-benzodioxol-5-yl ester
Alternate Name(s) (6-nitro-1,3-benzodioxol-5-yl) acetate (6-nitro-1,3-benzodioxol-5-yl) ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO6
InChI InChI=1S/C9H7NO6/c1-5(11)16-7-3-9-8(14-4-15-9)2-6(7)10(12)13/h2-3H,4H2,1H3
InChIKey DECGMUJJYLXRPA-UHFFFAOYSA-N
Molecular Weight 225.156 g/mol
SMILES c1c(OC(=O)C)c(N(=O)=O)cc2OCOc12
SPLASH splash10-0f8c-9700000000-8d9041fb0bc5d7ba4f10
Source of Spectrum IY-1-4400-9
Wiley ID 1651992