| SpectraBase Spectrum ID |
BNmppYFXjnx |
| Name |
Chloral |
| CAS Registry Number |
75-87-6 |
| Classification |
Pharmaceutical drug, hypnotic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
145.909297751 u |
| Formula |
C2HCl3O |
| InChI |
InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H |
| InChIKey |
HFFLGKNGCAIQMO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
147.388 g/mol |
| Nominal Mass |
146 u |
| Quality |
802 |
| Retention Index |
852 |
| SMILES |
C(C=O)(Cl)(Cl)Cl |
| SPLASH |
splash10-001i-9600000000-258fb06960ca1b5f2e0d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Trichloroacetaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031704 |
