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1-Isocyanato-2-(non-1-ynyl)benzene
SpectraBase Compound ID 8gOAypaAreH
InChI InChI=1S/C16H19NO/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)17-14-18/h9-10,12-13H,2-7H2,1H3
InChIKey TXIHCBKKWUFRDK-UHFFFAOYSA-N
Mol Weight 241.33 g/mol
Molecular Formula C16H19NO
Exact Mass 241.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyHgVCsBWyD
Name 1-Isocyanato-2-(non-1-ynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO
InChI InChI=1S/C16H19NO/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)17-14-18/h9-10,12-13H,2-7H2,1H3
InChIKey TXIHCBKKWUFRDK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9014877
Molecular Weight 241.334 g/mol
SMILES c1cc(c(N=C=O)cc1)C#CCCCCCCC
SPLASH splash10-0a5c-0910000000-e77ea608327d27509319
Source of Spectrum A1-11-4262/SMS16-1l
Synonyms 1-Isocyanato-2-(non-1-yn-1-yl)benzene
Wiley ID 1757159