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4-Bromobenzenecarbothioic acid S-octyl ester

View entire compound with spectra: 1 MS (GC)

4-Bromobenzenecarbothioic acid S-octyl ester
SpectraBase Compound ID 53I7URLE9l7
InChI InChI=1S/C15H21BrOS/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11H,2-7,12H2,1H3
InChIKey CBAHVBKLHXDLEO-UHFFFAOYSA-N
Mol Weight 329.3 g/mol
Molecular Formula C15H21BrOS
Exact Mass 328.049649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbrjwCllDLA
Name 4-Bromobenzenecarbothioic acid S-octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrOS
InChI InChI=1S/C15H21BrOS/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11H,2-7,12H2,1H3
InChIKey CBAHVBKLHXDLEO-UHFFFAOYSA-N
Molecular Weight 329.296 g/mol
SMILES C(c1ccc(cc1)Br)(=O)SCCCCCCCC
SPLASH splash10-001r-0900000000-f18cfae4bbc41fe117f8
Source of Spectrum F-70-3146-10
Synonyms 4-Bromothiobenzoic acid S-octyl ester S-octyl 4-bromanylbenzenecarbothioate S-octyl 4-bromobenzenecarbothioate
Wiley ID 1596682