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1,7-Tridecadiene-3,5,9,11-tetrayne, 7-(methylsulfinyl)-, (E)-
SpectraBase Compound ID FlgrDiO2nmf
InChI InChI=1S/C14H10OS/c1-4-6-8-10-12-14(16(3)15)13-11-9-7-5-2/h4,13H,1H2,2-3H3/b14-13+
InChIKey ISQQWSFQBDDMBI-BUHFOSPRSA-N
Mol Weight 226.29 g/mol
Molecular Formula C14H10OS
Exact Mass 226.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AHqN1mEqLs
Name 1,7-Tridecadiene-3,5,9,11-tetrayne, 7-(methylsulfinyl)-, (E)-
CAS Registry Number 62706-33-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10OS
InChI InChI=1S/C14H10OS/c1-4-6-8-10-12-14(16(3)15)13-11-9-7-5-2/h4,13H,1H2,2-3H3/b14-13+
InChIKey ISQQWSFQBDDMBI-BUHFOSPRSA-N
Molecular Weight 226.293 g/mol
SMILES CS(\C(C#CC#CC=C)=C/C#CC#CC)=O
SPLASH splash10-03di-0920000000-3237b355d2101e5b2c7b
Source of Spectrum K-110-473-0
Wiley ID 1227725