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2-(2-Ethoxycarbonylethyl)-1-phenylthiopenta-1(Z),4-diene
SpectraBase Compound ID B3D07vVh975
InChI InChI=1S/C16H20O2S/c1-3-8-14(11-12-16(17)18-4-2)13-19-15-9-6-5-7-10-15/h3,5-7,9-10,13H,1,4,8,11-12H2,2H3/b14-13+
InChIKey AZNFHAPQJNVVHB-BUHFOSPRSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ASd9bAfZuw
Name 2-(2-Ethoxycarbonylethyl)-1-phenylthiopenta-1(Z),4-diene
Alternate Name(s) (Z)-ethyl 4-((phenylthio)methylene)hept-6-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-3-8-14(11-12-16(17)18-4-2)13-19-15-9-6-5-7-10-15/h3,5-7,9-10,13H,1,4,8,11-12H2,2H3/b14-13+
InChIKey AZNFHAPQJNVVHB-BUHFOSPRSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 276.394 g/mol
SMILES C(\C(=C\Sc1ccccc1)CC=C)CC(=O)OCC
SPLASH splash10-00bc-9410000000-a6856321c1ef3d3bc457
Source of Spectrum A1-9-263/SMS5-4ia
Wiley ID 1757774