| SpectraBase Compound ID | FUdwlzxHBkY |
|---|---|
| InChI | InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
| InChIKey | HACRKYQRZABURO-UHFFFAOYSA-N |
| Mol Weight | 147.18 g/mol |
| Molecular Formula | C9H9NO |
| Exact Mass | 147.068414 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Hssc4i8Jibe |
|---|---|
| Name | Isocyanic acid, phenethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.068413913 u |
| Formula | C9H9NO |
| InChI | InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
| InChIKey | HACRKYQRZABURO-UHFFFAOYSA-N |
| Molecular Weight | 147.177 g/mol |
| SMILES | C=1C(=CC=CC1)CCN=C=O |
| Spectrum/Structure Validation Score (Raman) | 0.99097 |