| SpectraBase Spectrum ID |
4kFn82TIrJA |
| Name |
Acetylsalicylic acid ME |
| CAS Registry Number |
580-02-9 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (six 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 |
194.057908798 u |
| Formula |
C10H10O4 |
| InChI |
InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3 |
| InChIKey |
ONWPLBKWMAUFGZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
194.186 g/mol |
| Nominal Mass |
194 u |
| Quality |
991 |
| Retention Index |
1396 |
| SMILES |
C=1(C(OC(=O)C)=CC=CC1)C(OC)=O |
| SPLASH |
splash10-0fkc-5900000000-976755ed6840dd8c5fec |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl 2-acetoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024958 |
