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2-FURANMETHANETHIOL, ACETATE
SpectraBase Compound ID xzLh7K64w3
InChI InChI=1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey LQOUTUIIYXYBQW-UHFFFAOYSA-N
Mol Weight 156.2 g/mol
Molecular Formula C7H8O2S
Exact Mass 156.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uX4UWuWmZE
Name Furfurylthiol acetate
Source of Sample SAFC Cat.no. W316202
CAS Registry Number 13678-68-7
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 156.024500670 u
Formula C7H8O2S
InChI InChI=1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey LQOUTUIIYXYBQW-UHFFFAOYSA-N
Molecular Weight 156.199 g/mol
Number of Peaks 50
RI1 1163
RI2 840
RI3 1164
RI4 1123
SMILES C(C)(SCc1ccco1)=O
SPLASH splash10-001i-9100000000-0efdff20f1b12224fab9
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Ethanethioic acid, S-(2-furanylmethyl) ester
Wiley ID LM_FFNSC3_376