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Oxa-1,3-thiane <2-methyl-, 4-propyl->, cis-
SpectraBase Compound ID 23Q8HuER4cK
InChI InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3
InChIKey GKGOLPMYJJXRGD-UHFFFAOYSA-N
Mol Weight 160.27 g/mol
Molecular Formula C8H16OS
Exact Mass 160.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lvzlp9Dm4zx
Name Oxa-1,3-thiane <2-methyl-, 4-propyl->, cis-
Source of Sample SAFC Cat.no. W357804
CAS Registry Number 59323-76-1
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 160.092186308 u
Formula C8H16OS
InChI InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3
InChIKey GKGOLPMYJJXRGD-UHFFFAOYSA-N
Molecular Weight 160.275 g/mol
Number of Peaks 50
RI1 1167
RI2 845
RI3 925
RI4 882
RI5 1143
SMILES C1(OCCC(S1)CCC)C
SPLASH splash10-0kg5-9200000000-3632ff6f18ec25cf5d58
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 1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4S)-rel-
Wiley ID LM_FFNSC3_622