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S-(furan-2-ylmethyl) propanethioate
SpectraBase Compound ID 1HfNGplZtI3
InChI InChI=1S/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
InChIKey JNVPDFNCAUOOIT-UHFFFAOYSA-N
Mol Weight 170.23 g/mol
Molecular Formula C8H10O2S
Exact Mass 170.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LblcIhTnsG7
Name Furfuryl thiopropionate
Source of Sample SAFC Cat.no. W334707
CAS Registry Number 59020-85-8
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 170.040150734 u
Formula C8H10O2S
InChI InChI=1S/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
InChIKey JNVPDFNCAUOOIT-UHFFFAOYSA-N
Molecular Weight 170.226 g/mol
Number of Peaks 50
RI1 1256
RI2 934
SMILES C(CC)(SCc1ccco1)=O
SPLASH splash10-001i-9100000000-4cbfa45c99ab67f37e13
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 Propanethioic acid, S-(2-furanylmethyl) ester
Wiley ID LM_FFNSC3_849