| SpectraBase Compound ID | CCuFAu3r6RD |
|---|---|
| InChI | InChI=1S/C10H9NO/c1-2-10(11-8-12)9-6-4-3-5-7-9/h2-7,10H,1H2 |
| InChIKey | GNEPBTGCKNEPNE-UHFFFAOYSA-N |
| Mol Weight | 159.19 g/mol |
| Molecular Formula | C10H9NO |
| Exact Mass | 159.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FNmwfVI1Bmt |
|---|---|
| Name | Benzene, (1-isocyanato-2-propenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.068413913 u |
| Formula | C10H9NO |
| InChI | InChI=1S/C10H9NO/c1-2-10(11-8-12)9-6-4-3-5-7-9/h2-7,10H,1H2 |
| InChIKey | GNEPBTGCKNEPNE-UHFFFAOYSA-N |
| Molecular Weight | 159.188 g/mol |
| SMILES | C(N=C=O)(C=C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91863 |