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3,5-bis-(3,5-dichlor-2,4,6-trimethylphenyl)-3a,4a,7a,7b-tetrahydrothieno(2,3-d:5,4-d')di-isoxazole
SpectraBase Compound ID BerS1HwbwaS
InChI InChI=1S/C24H22Cl4N2O2S/c1-7-13(8(2)16(26)11(5)15(7)25)19-23-21(31-29-19)22-24(33-23)20(30-32-22)14-9(3)17(27)12(6)18(28)10(14)4/h21-24H,1-6H3
InChIKey XADAYZMBEUPSLA-UHFFFAOYSA-N
Mol Weight 544.3 g/mol
Molecular Formula C24H22Cl4N2O2S
Exact Mass 542.01561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PGsv4ZZfrn
Name 3,5-bis-(3,5-dichlor-2,4,6-trimethylphenyl)-3a,4a,7a,7b-tetrahydrothieno(2,3-d:5,4-d')di-isoxazole
Alternate Name(s) 3,5-bis(3,5-dichloro-2,4,6-trimethylphenyl)-3a,4a,7a,7b-tetrahydroisoxazolo[5',4':4,5]thieno[2,3-d]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22Cl4N2O2S
InChI InChI=1S/C24H22Cl4N2O2S/c1-7-13(8(2)16(26)11(5)15(7)25)19-23-21(31-29-19)22-24(33-23)20(30-32-22)14-9(3)17(27)12(6)18(28)10(14)4/h21-24H,1-6H3
InChIKey XADAYZMBEUPSLA-UHFFFAOYSA-N
Molecular Weight 544.324 g/mol
SMILES C=1(C2C(C3ON=C(C3S2)c2c(c(Cl)c(c(c2C)Cl)C)C)ON1)c1c(c(Cl)c(c(c1C)Cl)C)C
SPLASH splash10-056r-0290010000-b3fddfad136a0ba73ece
Source of Spectrum KC-1977-706-710
Wiley ID 1404795