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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwUmZWXd56D
Name Salicylic acid, acetate
CAS Registry Number 50-78-2
Comments SOLID STATE, CXP-100, STANDARD HEXAMETHYLBENZENE
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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
Instrument Name see comment
Literature Reference C-J. Chang, L.E. Diaz, F. Morin, D.M.Grant, Magn. Res. Chem. 24, 768 (1986).
NMR Standard see comment
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany