| SpectraBase Spectrum ID |
7MdpVpkjwWL |
| Name |
Acetylsalicylic acid |
| CAS Registry Number |
50-78-2 |
| Classification |
Pharmaceutical drug, analgesic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
180.042258734 u |
| Formula |
C9H8O4 |
| InChI |
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) |
| InChIKey |
BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.159 g/mol |
| Nominal Mass |
180 u |
| Quality |
978 |
| Retention Index |
1309 |
| SMILES |
OC(C1=C(OC(=O)C)C=CC=C1)=O |
| SPLASH |
splash10-0076-9700000000-e74b4d4102ace45dad0c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetylsalicylsaeure
O-Acetylsalicylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000048 |
