| SpectraBase Compound ID | IXT4vDVO6g2 |
|---|---|
| InChI | InChI=1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H |
| InChIKey | VDYWXVDWKFAUKE-UHFFFAOYSA-N |
| Mol Weight | 222.46 g/mol |
| Molecular Formula | C7H2Cl3NO |
| Exact Mass | 220.920197 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H1LKsYaFbcq |
|---|---|
| Name | BENZENE, 1,3,5-TRICHLORO-2-ISOCYANATO- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H2NOCl3 |
| InChI | InChI=1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H |
| InChIKey | VDYWXVDWKFAUKE-UHFFFAOYSA-N |
| Molecular Weight | 220.9203 |
| SMILES | c1(Cl)cc(Cl)cc(Cl)c1N=C=O |
| SPLASH | splash10-00di-7690000000-63d8b0f8c164c6f4c5c0 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |