![2-(Benzo[1,3]dioxol-5-ylethynyl)aniline](/api/spectrum/8fT4mDda5H3/structure.png?h=300&w=458 "2-(Benzo[1,3]dioxol-5-ylethynyl)aniline")
| SpectraBase Compound ID | 6Re2Ugihczm |
|---|---|
| InChI | InChI=1S/C15H11NO2/c16-13-4-2-1-3-12(13)7-5-11-6-8-14-15(9-11)18-10-17-14/h1-4,6,8-9H,10,16H2 |
| InChIKey | QNDCTMFJDVEDHH-UHFFFAOYSA-N |
| Mol Weight | 237.26 g/mol |
| Molecular Formula | C15H11NO2 |
| Exact Mass | 237.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fT4mDda5H3 |
|---|---|
| Name | 2-(Benzo[1,3]dioxol-5-ylethynyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.078978596 u |
| Formula | C15H11NO2 |
| InChI | InChI=1S/C15H11NO2/c16-13-4-2-1-3-12(13)7-5-11-6-8-14-15(9-11)18-10-17-14/h1-4,6,8-9H,10,16H2 |
| InChIKey | QNDCTMFJDVEDHH-UHFFFAOYSA-N |
| Molecular Weight | 237.258 g/mol |
| SMILES | C=1C=C(C(N)=CC1)C#CC1=CC2=C(C=C1)OCO2 |