| SpectraBase Spectrum ID |
FJ2PQGQJ1Bf |
| Name |
Acetylcysteine |
| CAS Registry Number |
616-91-1 |
| Classification |
Pharmaceutical drug, mucolytic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
163.030314325 u |
| Formula |
C5H9NO3S |
| InChI |
InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 |
| InChIKey |
PWKSKIMOESPYIA-BYPYZUCNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
163.191 g/mol |
| Nominal Mass |
163 u |
| Quality |
991 |
| Retention Index |
1547 |
| SMILES |
OC([C@](CS)(NC(=O)C)[H])=O |
| SPLASH |
splash10-0zfr-9500000000-a2ffd0c745874e375d54 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetylcystein
LNAC
N-Acetyl-1-cysteine
2-Acetamido-3-sulfanyl-propanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026108 |
