| SpectraBase Spectrum ID |
2lwHBkYtgEC |
| Name |
Chlorphenesin |
| CAS Registry Number |
104-29-0 |
| Classification |
Pharmaceutical drug, central muscle relaxant |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
202.039671911 u |
| Formula |
C9H11ClO3 |
| InChI |
InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2 |
| InChIKey |
MXOAEAUPQDYUQM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
202.637 g/mol |
| Nominal Mass |
202 u |
| Quality |
858 |
| Retention Index |
1402 |
| SMILES |
OCC(COC=1C=CC(=CC1)Cl)O |
| SPLASH |
splash10-004i-2910000000-6fc2e5ce65f10dbc087b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(4-Chlorophenoxy)propane-1,2-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005553 |
