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2-[hepta-1,4-dienyl]thiophene
SpectraBase Compound ID 2C0sykiMqoE
InChI InChI=1S/C11H14S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h3-4,6-10H,2,5H2,1H3
InChIKey SIDBMTXTXXSLIP-UHFFFAOYSA-N
Mol Weight 178.29 g/mol
Molecular Formula C11H14S
Exact Mass 178.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1k2urWxh4E
Name 2-[hepta-1,4-dienyl]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14S
InChI InChI=1S/C11H14S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h3-4,6-10H,2,5H2,1H3
InChIKey SIDBMTXTXXSLIP-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 178.293 g/mol
SMILES c1sc(cc1)C=CCC=CCC
SPLASH splash10-01ot-6900000000-ade2c20db57bad113778
Sample Comments Mixture of Cis/trans (50:50)
Source of Spectrum WO2019236562A1
Wiley ID 1875069