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1-(2'-Thienyl)trideca-1,3,5-trien-7-yne

View entire compound with spectra: 1 MS (GC)

1-(2'-Thienyl)trideca-1,3,5-trien-7-yne
SpectraBase Compound ID 3iNXmTLHlwV
InChI InChI=1S/C17H20S/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h8-16H,2-5H2,1H3/b9-8+,11-10+,14-12+
InChIKey ZRHAYDHZSFJSTO-TVYNXUAPSA-N
Mol Weight 256.41 g/mol
Molecular Formula C17H20S
Exact Mass 256.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XAqfE7HkG
Name 1-(2'-Thienyl)trideca-1,3,5-trien-7-yne
Alternate Name(s) 2-[(1E,3E,5E)-1,3,5-tridecatrien-7-ynyl]thiophene
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Formula C17H20S
InChI InChI=1S/C17H20S/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h8-16H,2-5H2,1H3/b9-8+,11-10+,14-12+
InChIKey ZRHAYDHZSFJSTO-TVYNXUAPSA-N
Molecular Weight 256.407 g/mol
SMILES C(#CCCCCC)\C=C\C=C\C=C\c1sccc1
SPLASH splash10-052b-4950000000-3fa97eafefdb12827b50
Source of Spectrum K1-2001-573-3
Wiley ID 846688