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3-bromomethyl-2,6-dichloro-4,11-dimethyl-5-methylene-9,9-bis(phenylsulphonyl)tricyclo[5.3.1.0(4,11)]undeca-1,6-diene
SpectraBase Compound ID Dg2uD2gLM4B
InChI InChI=1S/C27H25BrCl2O4S2/c1-17-23(29)20-14-27(35(31,32)18-10-6-4-7-11-18,36(33,34)19-12-8-5-9-13-19)15-21-24(30)22(16-28)25(17,2)26(20,21)3/h4-13,22H,1,14-16H2,2-3H3
InChIKey QPLAXFZNSXCXDY-UHFFFAOYSA-N
Mol Weight 628.42 g/mol
Molecular Formula C27H25BrCl2O4S2
Exact Mass 625.97547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eC8NL1qnlC
Name 3-bromomethyl-2,6-dichloro-4,11-dimethyl-5-methylene-9,9-bis(phenylsulphonyl)tricyclo[5.3.1.0(4,11)]undeca-1,6-diene
CAS Registry Number 133384-99-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25BrCl2O4S2
InChI InChI=1S/C27H25BrCl2O4S2/c1-17-23(29)20-14-27(35(31,32)18-10-6-4-7-11-18,36(33,34)19-12-8-5-9-13-19)15-21-24(30)22(16-28)25(17,2)26(20,21)3/h4-13,22H,1,14-16H2,2-3H3
InChIKey QPLAXFZNSXCXDY-UHFFFAOYSA-N
Molecular Weight 628.423 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)CC2=C(C(CBr)C3(C2(C(C1)=C(C3=C)Cl)C)C)Cl
SPLASH splash10-0006-0000390000-2efab8e8c2c575f58f44
Source of Spectrum K-124-1829-11
Synonyms 2-(bromomethyl)-1,4-dichloro-2a,7b-dimethyl-3-methylene-6,6-bis(phenylsulfonyl)-2a,3,5,6,7,7b-hexahydro-2H-cyclopenta[cd]indene
Wiley ID 1411860