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(E)-5-(4-Nitrobut-3-en-1-yn-1-yl)benzo[d][1,3]dioxole
SpectraBase Compound ID 23If457Z0pR
InChI InChI=1S/C11H7NO4/c13-12(14)6-2-1-3-9-4-5-10-11(7-9)16-8-15-10/h2,4-7H,8H2/b6-2+
InChIKey QWFBEDHBLZRVHQ-QHHAFSJGSA-N
Mol Weight 217.18 g/mol
Molecular Formula C11H7NO4
Exact Mass 217.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByAv1g2pfao
Name (E)-5-(4-Nitrobut-3-en-1-yn-1-yl)benzo[d][1,3]dioxole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7NO4
InChI InChI=1S/C11H7NO4/c13-12(14)6-2-1-3-9-4-5-10-11(7-9)16-8-15-10/h2,4-7H,8H2/b6-2+
InChIKey QWFBEDHBLZRVHQ-QHHAFSJGSA-N
Literature Reference DOI 10.1039/c4cc09495f
Molecular Weight 217.180 g/mol
SMILES c1cc(cc2c1OCO2)C#C\C=C\[N+](=O)[O-]
SPLASH splash10-01b9-0980000000-d800c61dc50586d707d4
Source of Spectrum KD-51-2266/SM-1g
Wiley ID 1757566