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4-(Methylmercapto)benzyl acetate
SpectraBase Compound ID IwI7gorse07
InChI InChI=1S/C10H12O2S/c1-8(11)12-7-9-3-5-10(13-2)6-4-9/h3-6H,7H2,1-2H3
InChIKey QGQGKWPUVLIBRE-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJHymiRL6xM
Name 4-(Methylmercapto)benzyl acetate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 196.055800798 u
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-8(11)12-7-9-3-5-10(13-2)6-4-9/h3-6H,7H2,1-2H3
InChIKey QGQGKWPUVLIBRE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 196.264 g/mol
Nominal Mass 196 u
Quality 912
Retention Index 1573
SMILES C1(=CC=C(C=C1)SC)COC(=O)C
SPLASH splash10-000j-1900000000-77df4d863e55bcd22bef
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-methylthiobenzyl acetate
Technique GC/MS
Wiley ID DD2024_002293