| SpectraBase Compound ID | 9o0Bzhs9Xvy |
|---|---|
| InChI | InChI=1S/C17H12ClNO4/c18-8-9-23-17(22)19-13-7-3-6-12-14(13)16(21)11-5-2-1-4-10(11)15(12)20/h1-7H,8-9H2,(H,19,22) |
| InChIKey | DBQHCPKNJFKQJZ-UHFFFAOYSA-N |
| Mol Weight | 329.74 g/mol |
| Molecular Formula | C17H12ClNO4 |
| Exact Mass | 329.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXtHk3QOf6P |
|---|---|
| Name | 2-Chloroethyl (1-anthraquinonyl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.045485566 u |
| Formula | C17H12ClNO4 |
| InChI | InChI=1S/C17H12ClNO4/c18-8-9-23-17(22)19-13-7-3-6-12-14(13)16(21)11-5-2-1-4-10(11)15(12)20/h1-7H,8-9H2,(H,19,22) |
| InChIKey | DBQHCPKNJFKQJZ-UHFFFAOYSA-N |
| Molecular Weight | 329.739 g/mol |
| SMILES | C12=C(C(C=3C(C2=O)=CC=CC3NC(=O)OCCCl)=O)C=CC=C1 |