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Dimethyl 2-(4-pentenyl)-2-phenylthiopropanedioate

View entire compound with spectra: 1 MS (GC)

Dimethyl 2-(4-pentenyl)-2-phenylthiopropanedioate
SpectraBase Compound ID 3Ji4uOHLV4g
InChI InChI=1S/C16H20O4S/c1-4-5-9-12-16(14(17)19-2,15(18)20-3)21-13-10-7-6-8-11-13/h4,6-8,10-11H,1,5,9,12H2,2-3H3
InChIKey IKQYNHSHRNRXNC-UHFFFAOYSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6H1fU7Mx1uW
Name Dimethyl 2-(4-pentenyl)-2-phenylthiopropanedioate
Alternate Name(s) Dimethyl 2-(4-pentenyl)-2-(phenylsulfanyl)malonate
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Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-4-5-9-12-16(14(17)19-2,15(18)20-3)21-13-10-7-6-8-11-13/h4,6-8,10-11H,1,5,9,12H2,2-3H3
InChIKey IKQYNHSHRNRXNC-UHFFFAOYSA-N
Molecular Weight 308.392 g/mol
SMILES C(C(=O)OC)(C(=O)OC)(Sc1ccccc1)CCCC=C
SPLASH splash10-0a4r-2981000000-759e5f113ea5fb7c083c
Source of Spectrum QA-44-257-4
Wiley ID 862355