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1-[2-(Buta-1,3-diynyl)-4-tert-butylphenyl]urea
SpectraBase Compound ID 3SH32l5VhN4
InChI InChI=1S/C15H16N2O/c1-5-6-7-11-10-12(15(2,3)4)8-9-13(11)17-14(16)18/h1,8-10H,2-4H3,(H3,16,17,18)
InChIKey IGCBYJZSYIAFNR-UHFFFAOYSA-N
Mol Weight 240.31 g/mol
Molecular Formula C15H16N2O
Exact Mass 240.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TvbBntyn3B
Name 1-[2-(Buta-1,3-diynyl)-4-tert-butylphenyl]urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O
InChI InChI=1S/C15H16N2O/c1-5-6-7-11-10-12(15(2,3)4)8-9-13(11)17-14(16)18/h1,8-10H,2-4H3,(H3,16,17,18)
InChIKey IGCBYJZSYIAFNR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4007986
Molecular Weight 240.306 g/mol
SMILES N(C(N)=O)c1c(cc(C(C)(C)C)cc1)C#CC#C
SPLASH splash10-001i-9750000000-216eb47e5d23005b202a
Source of Spectrum A1-15-2616/SMS22-14
Synonyms 1-(2-(buta-1,3-diyn-1-yl)-4-(tert-butyl)phenyl)urea
Wiley ID 1748577