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5-(1,2-DIACETOXYETHYL)-2-(E)-5-ENE-HEPT-5-ENE-1,3-DIYNYLTHIOPHENE
SpectraBase Compound ID CWjK1jpW56g
InChI InChI=1S/C17H16O4S/c1-4-5-6-7-8-9-15-10-11-17(22-15)16(21-14(3)19)12-20-13(2)18/h4-5,10-11,16H,12H2,1-3H3/b5-4+
InChIKey SZRQIJOTIIDHCG-SNAWJCMRSA-N
Mol Weight 316.37 g/mol
Molecular Formula C17H16O4S
Exact Mass 316.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5m3epvNcmV
Name 5-(1',2'-Diacetoxyethyl)-2-hept-5-ene-1,3-diynylthiophene
Alternate Name(s) Acetic acid [2-acetyloxy-2-[5-[(E)-hept-5-en-1,3-diynyl]-2-thiophenyl]ethyl] ester [2-acetyloxy-2-[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]ethyl] acetate [2-acetoxy-2-[5-[(E)-hept-5-en-1,3-diynyl]-2-thienyl]ethyl] acetate [2-acetyloxy-2-[5-[(E)-hept-5-en-1,3-diynyl]thiophen-2-yl]ethyl] ethanoate
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Formula C17H16O4S
InChI InChI=1S/C17H16O4S/c1-4-5-6-7-8-9-15-10-11-17(22-15)16(21-14(3)19)12-20-13(2)18/h4-5,10-11,16H,12H2,1-3H3/b5-4+
InChIKey SZRQIJOTIIDHCG-SNAWJCMRSA-N
Molecular Weight 316.371 g/mol
SMILES c1(sc(C#CC#C\C=C\C)cc1)C(OC(=O)C)COC(=O)C
SPLASH splash10-0nmi-0091000000-df9218d77653bcf58d45
Source of Spectrum G4-69-1243-6
Wiley ID 1694482