| SpectraBase Compound ID | 1d2uNdCGsQe |
|---|---|
| InChI | InChI=1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3 |
| InChIKey | FQDDBYGPHUUTRN-UHFFFAOYSA-N |
| Mol Weight | 177.16 g/mol |
| Molecular Formula | C9H7NO3 |
| Exact Mass | 177.042593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8D3deckMoJl |
|---|---|
| Name | Methyl 4-isocyanatobenzoate |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H7NO3 |
| InChI | InChI=1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3 |
| InChIKey | FQDDBYGPHUUTRN-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 177.159 g/mol |
| Source File Reference | MHKO6093 |