| SpectraBase Compound ID | 8I0b7JNEEMG |
|---|---|
| InChI | InChI=1S/C9H9NO/c1-2-8-4-3-5-9(6-8)10-7-11/h3-6H,2H2,1H3 |
| InChIKey | DNFZCDLEGMEKMI-UHFFFAOYSA-N |
| Mol Weight | 147.18 g/mol |
| Molecular Formula | C9H9NO |
| Exact Mass | 147.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G4E6N9IBcmD |
|---|---|
| Name | 3-Ethylphenyl isocyanate |
| 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/c1-2-8-4-3-5-9(6-8)10-7-11/h3-6H,2H2,1H3 |
| InChIKey | DNFZCDLEGMEKMI-UHFFFAOYSA-N |
| Molecular Weight | 147.177 g/mol |
| SMILES | C1=C(C=C(C=C1)CC)N=C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851374 |