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anti-14-bromo-5,8-dimethoxy-16-methyl-2,11-dithia[3]paracyclo[3](2,4)thiophenophane
SpectraBase Compound ID 3ly9iOJP1V0
InChI InChI=1S/C17H19BrO2S3/c1-10-13-8-21-6-11-4-15(20-3)12(5-14(11)19-2)7-22-9-16(23-10)17(13)18/h4-5H,6-9H2,1-3H3
InChIKey SZRWPRLKDAHBTO-UHFFFAOYSA-N
Mol Weight 431.42 g/mol
Molecular Formula C17H19BrO2S3
Exact Mass 429.973056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhUcIFHP90y
Name anti-14-bromo-5,8-dimethoxy-16-methyl-2,11-dithia[3]paracyclo[3](2,4)thiophenophane
Alternate Name(s) syn-14-bromo-5,8-dimethoxy-16-methyl-2,11-dithia[3]paracyclo[3](2,4)thiophenophane 17-bromo-13,15-dimethoxy-7-methyl-3,6,10-trithiatricyclo[10.2.2.1(5,8)]heptadeca-1(14),5(17),7,12,15-pentaene
CAS Registry Number 132564-47-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19BrO2S3
InChI InChI=1S/C17H19BrO2S3/c1-10-13-8-21-6-11-4-15(20-3)12(5-14(11)19-2)7-22-9-16(23-10)17(13)18/h4-5H,6-9H2,1-3H3
InChIKey SZRWPRLKDAHBTO-UHFFFAOYSA-N
Molecular Weight 431.421 g/mol
SMILES c12c(c(CSCc3c(cc(CSC2)c(c3)OC)OC)sc1C)Br
SPLASH splash10-001i-0300900000-b28f0892f2b125479e94
Source of Spectrum K-124-1407-9
Wiley ID 1381361