| SpectraBase Spectrum ID |
ISWSduPy0TZ |
| Name |
2-(Benzo[1,3]dioxol-5-ylethynyl)-1-isocyanatobenzene |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H9NO3 |
| InChI |
InChI=1S/C16H9NO3/c18-10-17-14-4-2-1-3-13(14)7-5-12-6-8-15-16(9-12)20-11-19-15/h1-4,6,8-9H,11H2 |
| InChIKey |
RYWBTWBRCVGLBI-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol9014877 |
| Molecular Weight |
263.252 g/mol |
| SMILES |
c1cc(C#Cc2cc3c(cc2)OCO3)c(N=C=O)cc1 |
| SPLASH |
splash10-03di-0290000000-7275218cc7b829489fa7 |
| Source of Spectrum |
A1-11-4262/SMS13-1h |
| Synonyms |
5-((2-isocyanatophenyl)ethynyl)benzo[d][1,3]dioxole |
| Wiley ID |
1757155 |
![2-(Benzo[1,3]dioxol-5-ylethynyl)-1-isocyanatobenzene](/api/spectrum/ISWSduPy0TZ/structure.png?h=300&w=458 "2-(Benzo[1,3]dioxol-5-ylethynyl)-1-isocyanatobenzene")
