| SpectraBase Compound ID | KiTUnqJkM0j |
|---|---|
| InChI | InChI=1S/C8H8Cl2O/c1-8(7(9)10)4-2-6(11)3-5-8/h2-5,7H,1H3 |
| InChIKey | MJRRCEHODULPAV-UHFFFAOYSA-N |
| Mol Weight | 191.06 g/mol |
| Molecular Formula | C8H8Cl2O |
| Exact Mass | 189.99522 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 26w2aoZp6xI |
|---|---|
| Name | 2,5-CYCLOHEXADIEN-1-ONE, 4-(DICHLOROMETHYL)-4-METHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H8OCl2 |
| InChI | InChI=1S/C8H8Cl2O/c1-8(7(9)10)4-2-6(11)3-5-8/h2-5,7H,1H3 |
| InChIKey | MJRRCEHODULPAV-UHFFFAOYSA-N |
| Molecular Weight | 189.9951 |
| SMILES | C1(=O)C=CC(C(Cl)Cl)(C)C=C1 |
| SPLASH | splash10-0a6r-9700000000-4e3438cb97de000fa0ea |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |