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Guaifenesin
SpectraBase Compound ID L3eaap3bMxG
InChI InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
InChIKey HSRJKNPTNIJEKV-UHFFFAOYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JTQKRJrm4W
Name Guaifenesin
CAS Registry Number 93-14-1
Classification Pharmaceutical drug, expectorant
Comments Spectrum verified by crosschecking against external libraries (five 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 198.089208927 u
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
InChIKey HSRJKNPTNIJEKV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 198.218 g/mol
Nominal Mass 198 u
Quality 1000
Retention Index 1420
SMILES OCC(COC=1C(=CC=CC1)OC)O
SPLASH splash10-05fr-4900000000-e924077d6fa67289970f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Metfenossidiolo Methphenoxydiol 3-(2-methoxyphenoxy)-1,2-propandiol
Technique GC/MS
Wiley ID DD2024_021716