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Piperonylic acid, 5-nitro-
SpectraBase Compound ID JzKh5rsiIje
InChI InChI=1S/C8H5NO6/c10-8(11)4-1-6-7(15-3-14-6)2-5(4)9(12)13/h1-2H,3H2,(H,10,11)
InChIKey XQJWBDDLVCMLAB-UHFFFAOYSA-N
Mol Weight 211.13 g/mol
Molecular Formula C8H5NO6
Exact Mass 211.011687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vW8YP4ml5w
Name Piperonylic acid, 5-nitro-
CAS Registry Number 716-32-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO6
InChI InChI=1S/C8H5NO6/c10-8(11)4-1-6-7(15-3-14-6)2-5(4)9(12)13/h1-2H,3H2,(H,10,11)
InChIKey XQJWBDDLVCMLAB-UHFFFAOYSA-N
Molecular Weight 211.129 g/mol
SMILES OC(=O)c1cc2OCOc2cc1[N+]([O-])=O
SPLASH splash10-0nor-9620000000-7bd7191efc476b8ab521
Source of Spectrum JX-2015-0-61
Synonyms 6-Nitrobenzo[d][1,3]dioxole-5-carboxylic acid 6-Nitro-1,3-benzodioxole-5-carboxylic acid
Wiley ID 1720052