| SpectraBase Spectrum ID |
1IZsQA4LUe |
| Name |
4-Chloro-3-methyl-phenol |
| CAS Registry Number |
59-50-7 |
| Classification |
Disinfectant |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
142.018542544 u |
| Formula |
C7H7ClO |
| InChI |
InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3 |
| InChIKey |
CFKMVGJGLGKFKI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
142.585 g/mol |
| Nominal Mass |
142 u |
| Quality |
963 |
| Retention Index |
1279 |
| SMILES |
OC1=CC(=C(C=C1)Cl)C |
| SPLASH |
splash10-054o-7900000000-fe409fa0b681b72e0f42 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Candaseptic
4-Chloro-m-cresol
4-Chloro-3-methylphenol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004519 |
