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1-Isothiocyanato-3-(methylthio)propane
SpectraBase Compound ID ICnuzbTSplS
InChI InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
InChIKey LDKSCZJUIURGMW-UHFFFAOYSA-N
Mol Weight 147.25 g/mol
Molecular Formula C5H9NS2
Exact Mass 147.017642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HWnzagpO4m
Name Iberverin
Source of Sample SAFC Cat.no. W331201
CAS Registry Number 505-79-3
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 147.017641642 u
Formula C5H9NS2
InChI InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
InChIKey LDKSCZJUIURGMW-UHFFFAOYSA-N
Molecular Weight 147.254 g/mol
Number of Peaks 50
RI1 1311
RI2 988
RI3 1356
RI4 1310
SMILES C(CCSC)N=C=S
SPLASH splash10-0udi-9500000000-c597e207711c975c5556
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 Propane, 1-isothiocyanato-3-(methylthio)-
Wiley ID LM_FFNSC3_861