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4-Allyl-2-(di-t-butylmethylene)-4-(p-chlorophenyl)-1,3-oxathiolan-5-one
SpectraBase Compound ID EtXLjHMPpSg
InChI InChI=1S/C21H27ClO2S/c1-8-13-21(14-9-11-15(22)12-10-14)18(23)24-17(25-21)16(19(2,3)4)20(5,6)7/h8-12H,1,13H2,2-7H3
InChIKey AODXJHNOWMTPMM-UHFFFAOYSA-N
Mol Weight 378.96 g/mol
Molecular Formula C21H27ClO2S
Exact Mass 378.142029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZ5xikEkTPY
Name 4-Allyl-2-(di-t-butylmethylene)-4-(p-chlorophenyl)-1,3-oxathiolan-5-one
Alternate Name(s) 4-Allyl-2-(1-tert-butyl-2,2-dimethylpropylidene)-4-(4-chlorophenyl)-1,3-oxathiolan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClO2S
InChI InChI=1S/C21H27ClO2S/c1-8-13-21(14-9-11-15(22)12-10-14)18(23)24-17(25-21)16(19(2,3)4)20(5,6)7/h8-12H,1,13H2,2-7H3
InChIKey AODXJHNOWMTPMM-UHFFFAOYSA-N
Molecular Weight 378.958 g/mol
SMILES C1(SC(c2ccc(cc2)Cl)(CC=C)C(O1)=O)=C(C(C)(C)C)C(C)(C)C
SPLASH splash10-000i-0900000000-a4d0c98260c99501d02d
Source of Spectrum AJ-68-1398-7
Wiley ID 773314