| SpectraBase Compound ID | 8EReLN2JKEx |
|---|---|
| InChI | InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2 |
| InChIKey | JXYITCJMBRETQX-UHFFFAOYSA-N |
| Mol Weight | 117.15 g/mol |
| Molecular Formula | C8H7N |
| Exact Mass | 117.057849 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | C3avBfkd3xt |
|---|---|
| Name | 4-Ethynylaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 117.057849229 u |
| Formula | C8H7N |
| InChI | InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2 |
| InChIKey | JXYITCJMBRETQX-UHFFFAOYSA-N |
| Molecular Weight | 117.151 g/mol |
| SMILES | C(#C)C1=CC=C(N)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.927158 |