| SpectraBase Compound ID | 6bQ9AavFXnh |
|---|---|
| InChI | InChI=1S/C13H9NO/c15-10-14-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H |
| InChIKey | IHHUGFJSEJSCGE-UHFFFAOYSA-N |
| Mol Weight | 195.22 g/mol |
| Molecular Formula | C13H9NO |
| Exact Mass | 195.068414 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kmah2HJCX7U |
|---|---|
| Name | 2-Biphenylyl isocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.068413913 u |
| Formula | C13H9NO |
| InChI | InChI=1S/C13H9NO/c15-10-14-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H |
| InChIKey | IHHUGFJSEJSCGE-UHFFFAOYSA-N |
| Molecular Weight | 195.221 g/mol |
| SMILES | C1(=C(C=CC=C1)N=C=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.995752 |