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Acetylsalicylic acid

View entire compound with spectra: 26 NMR, 6 FTIR, 3 Raman, 30 MS (GC), and 10 MS (LC)

Acetylsalicylic acid
SpectraBase Compound ID 7AZ8DZAeGid
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
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2hhMNoooB3
Name Acetylsalicylic acid
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
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
SMILES OC(c1ccccc1OC(=O)C)=O
SPLASH splash10-00du-7900000000-0526d052b4c5d75e757f
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences