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1,4-Oxathiocin-3-carboxylic acid, 6,7-dibromo-5,8-dichloro-2-methyl-, ethyl ester
SpectraBase Compound ID 4Ik0ek8A28e
InChI InChI=1S/C10H8Br2Cl2O3S/c1-3-16-10(15)7-4(2)17-8(13)5(11)6(12)9(14)18-7/h3H2,1-2H3/b7-4-,8-5+,9-6+
InChIKey VKSCKZAOLKBQLJ-OQMAIZNUSA-N
Mol Weight 438.95 g/mol
Molecular Formula C10H8Br2Cl2O3S
Exact Mass 435.793797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZXZhyNFmuP
Name 1,4-Oxathiocin-3-carboxylic acid, 6,7-dibromo-5,8-dichloro-2-methyl-, ethyl ester
Alternate Name(s) 2-Methyl-3-carbethoxy-6,7-dibromo-5,8-dichloro-1,4-oxathiocine Ethyl 6,7-dibromo-5,8-dichloro-2-methyl-1,4-oxathiocin-3-carboxylate
CAS Registry Number 123004-69-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8Br2Cl2O3S
InChI InChI=1S/C10H8Br2Cl2O3S/c1-3-16-10(15)7-4(2)17-8(13)5(11)6(12)9(14)18-7/h3H2,1-2H3/b7-4-,8-5+,9-6+
InChIKey VKSCKZAOLKBQLJ-OQMAIZNUSA-N
Molecular Weight 438.945 g/mol
SMILES C\C=1O\C(=C/(\C(=C/(SC/1C(=O)OCC)Cl)Br)Br)Cl
SPLASH splash10-0006-9001000000-633d3f1c7683fd837b45
Source of Spectrum J-54-4827-3
Wiley ID 1383320