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1-[4-Nitro-2-(buta-1,3-diynyl)phenyl]urea
SpectraBase Compound ID JrejuNiAwJN
InChI InChI=1S/C11H7N3O3/c1-2-3-4-8-7-9(14(16)17)5-6-10(8)13-11(12)15/h1,5-7H,(H3,12,13,15)
InChIKey QRXVCKVUNVGISL-UHFFFAOYSA-N
Mol Weight 229.19 g/mol
Molecular Formula C11H7N3O3
Exact Mass 229.048741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRy7SsvRhOj
Name 1-[4-Nitro-2-(buta-1,3-diynyl)phenyl]urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7N3O3
InChI InChI=1S/C11H7N3O3/c1-2-3-4-8-7-9(14(16)17)5-6-10(8)13-11(12)15/h1,5-7H,(H3,12,13,15)
InChIKey QRXVCKVUNVGISL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4007986
Molecular Weight 229.195 g/mol
SMILES N(C(N)=O)c1c(cc(cc1)[N+](=O)[O-])C#CC#C
SPLASH splash10-000i-2920000000-83876fa55a80e056f646
Source of Spectrum A1-15-2616/SMS25-18
Synonyms 1-(2-(buta-1,3-diyn-1-yl)-4-nitrophenyl)urea
Wiley ID 1748581