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(3E,5E)-3-carbethoxy-2,5-dimethyl-6-(phenylthio)hexa-3,5-dienoic acid
SpectraBase Compound ID HGZORG6AHnv
InChI InChI=1S/C17H20O4S/c1-4-21-17(20)15(13(3)16(18)19)10-12(2)11-22-14-8-6-5-7-9-14/h5-11,13H,4H2,1-3H3,(H,18,19)/b12-11+,15-10+
InChIKey CYHKNWPUFKVQRL-LNXXMCPBSA-N
Mol Weight 320.4 g/mol
Molecular Formula C17H20O4S
Exact Mass 320.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34nTzotY9f2
Name (3E,5E)-3-carbethoxy-2,5-dimethyl-6-(phenylthio)hexa-3,5-dienoic acid
Alternate Name(s) (3E,5E)-3-ethoxycarbonyl-2,5-dimethyl-6-(phenylthio)hexa-3,5-dienoic acid (3E,5E)-3-ethoxycarbonyl-2,5-dimethyl-6-phenylsulfanyl-hexa-3,5-dienoic acid
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Formula C17H20O4S
InChI InChI=1S/C17H20O4S/c1-4-21-17(20)15(13(3)16(18)19)10-12(2)11-22-14-8-6-5-7-9-14/h5-11,13H,4H2,1-3H3,(H,18,19)/b12-11+,15-10+
InChIKey CYHKNWPUFKVQRL-LNXXMCPBSA-N
Molecular Weight 320.403 g/mol
SMILES OC(C(\C(=C/C(=C/Sc1ccccc1)C)C(=O)OCC)C)=O
SPLASH splash10-03xr-3980000000-3fd60a10a6e3d120d9a4
Source of Spectrum J-66-7886-4
Wiley ID 1568482