| SpectraBase Compound ID | GPjN8xbXTIC |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-3-9-6-5-7-10(4-2)11(9)13-8-12/h5-7H,3-4H2,1-2H3 |
| InChIKey | PUJKDHNHEYPVCD-UHFFFAOYSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HTvwS6nCLvt |
|---|---|
| Name | Cyanic acid, 2,6-diethylphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.099714042 u |
| Formula | C11H13NO |
| InChI | InChI=1S/C11H13NO/c1-3-9-6-5-7-10(4-2)11(9)13-8-12/h5-7H,3-4H2,1-2H3 |
| InChIKey | PUJKDHNHEYPVCD-UHFFFAOYSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C=1(C=CC=C(C1OC#N)CC)CC |
| Spectrum/Structure Validation Score (Raman) | 0.892762 |