| SpectraBase Compound ID | KH2QbC2eDBL |
|---|---|
| InChI | InChI=1S/C9H9NO2/c1-7-5-8(12-2)3-4-9(7)10-6-11/h3-5H,1-2H3 |
| InChIKey | XGRQPTXFVDRJMY-UHFFFAOYSA-N |
| Mol Weight | 163.18 g/mol |
| Molecular Formula | C9H9NO2 |
| Exact Mass | 163.063329 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ggw63QrwFWU |
|---|---|
| Name | 4-Methoxy-2-methylphenyl isocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.063328532 u |
| Formula | C9H9NO2 |
| InChI | InChI=1S/C9H9NO2/c1-7-5-8(12-2)3-4-9(7)10-6-11/h3-5H,1-2H3 |
| InChIKey | XGRQPTXFVDRJMY-UHFFFAOYSA-N |
| Molecular Weight | 163.176 g/mol |
| SMILES | COC1=CC(=C(C=C1)N=C=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.884183 |