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Ethyl 3-Oxo-2-(1-phenylprop-2-enyl)thiepane-2-carboxylate
SpectraBase Compound ID 46awOBJ1Ggo
InChI InChI=1S/C18H22O3S/c1-3-15(14-10-6-5-7-11-14)18(17(20)21-4-2)16(19)12-8-9-13-22-18/h3,5-7,10-11,15H,1,4,8-9,12-13H2,2H3
InChIKey CKWXATFDOHVNSG-UHFFFAOYSA-N
Mol Weight 318.43 g/mol
Molecular Formula C18H22O3S
Exact Mass 318.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGIY8V7byby
Name Ethyl 3-Oxo-2-(1-phenylprop-2-enyl)thiepane-2-carboxylate
Alternate Name(s) Ethyl 3-oxo-2-(1-phenyl-2-propenyl)-2-thiepanecarboxylate
CAS Registry Number 131327-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3S
InChI InChI=1S/C18H22O3S/c1-3-15(14-10-6-5-7-11-14)18(17(20)21-4-2)16(19)12-8-9-13-22-18/h3,5-7,10-11,15H,1,4,8-9,12-13H2,2H3
InChIKey CKWXATFDOHVNSG-UHFFFAOYSA-N
Molecular Weight 318.431 g/mol
SMILES C1(C(=O)OCC)(C(C=C)c2ccccc2)C(=O)CCCCS1
SPLASH splash10-014i-0901000000-037625c7b6a87764eae7
Source of Spectrum F-46-6521-13
Wiley ID 1318493