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4H-1-Benzothiopyran-4-one, 2,2,3,3-tetrachloro-2,3-dihydro-, 1-oxide
SpectraBase Compound ID 3u4WDbSTiBA
InChI InChI=1S/C9H4Cl4O2S/c10-8(11)7(14)5-3-1-2-4-6(5)16(15)9(8,12)13/h1-4H
InChIKey BRVXGKWCCGWDSG-UHFFFAOYSA-N
Mol Weight 318.0 g/mol
Molecular Formula C9H4Cl4O2S
Exact Mass 315.868611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1f0Zg89SVY3
Name 4H-1-Benzothiopyran-4-one, 2,2,3,3-tetrachloro-2,3-dihydro-, 1-oxide
Alternate Name(s) 2,2,3,3-tetrachloro-2,3-dihydro-4H-1-benzothiopyran-4-one 1-oxide 2,2,3,3-Tetrachlorothiochroman-4-one-S-oxide
CAS Registry Number 74695-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4Cl4O2S
InChI InChI=1S/C9H4Cl4O2S/c10-8(11)7(14)5-3-1-2-4-6(5)16(15)9(8,12)13/h1-4H
InChIKey BRVXGKWCCGWDSG-UHFFFAOYSA-N
Molecular Weight 318.001 g/mol
SMILES C1(C(C(=O)c2c(S1=O)cccc2)(Cl)Cl)(Cl)Cl
SPLASH splash10-0udi-0900000000-d996b5ede96606c045cd
Source of Spectrum KC-1982-399-0
Wiley ID 1316274