| SpectraBase Compound ID | Bm6fb3mdufE |
|---|---|
| InChI | InChI=1S/C14H11NO2/c16-11-15-13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIKey | HFIHSWMJFCMLJE-UHFFFAOYSA-N |
| Mol Weight | 225.25 g/mol |
| Molecular Formula | C14H11NO2 |
| Exact Mass | 225.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7oPDB40aILY |
|---|---|
| Name | 4-(Benzyloxy)phenyl isocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.078978596 u |
| Formula | C14H11NO2 |
| InChI | InChI=1S/C14H11NO2/c16-11-15-13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIKey | HFIHSWMJFCMLJE-UHFFFAOYSA-N |
| Molecular Weight | 225.247 g/mol |
| SMILES | C(C1=CC=CC=C1)OC1=CC=C(C=C1)N=C=O |
| Spectrum/Structure Validation Score (Raman) | 0.971003 |