| SpectraBase Compound ID | LMJsqzqpkDs |
|---|---|
| InChI | InChI=1S/C9H7ClN2O2/c10-7-1-3-8(4-2-7)14-9(13)12-6-5-11/h1-4H,6H2,(H,12,13) |
| InChIKey | GWODEOMEGRSVQU-UHFFFAOYSA-N |
| Mol Weight | 210.62 g/mol |
| Molecular Formula | C9H7ClN2O2 |
| Exact Mass | 210.019605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3sxRQaDj3k |
|---|---|
| Name | p-Chlorophenyl N-(cyanomethyl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.019605171 u |
| Formula | C9H7ClN2O2 |
| InChI | InChI=1S/C9H7ClN2O2/c10-7-1-3-8(4-2-7)14-9(13)12-6-5-11/h1-4H,6H2,(H,12,13) |
| InChIKey | GWODEOMEGRSVQU-UHFFFAOYSA-N |
| Molecular Weight | 210.620 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(=O)NCC#N)Cl |