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7-Bromo-4-isopropyl-2-(4-tolylsulfonyloxy)tropone
SpectraBase Compound ID 3A3H4QyhFhq
InChI InChI=1S/C17H17BrO4S/c1-11(2)13-6-9-15(18)17(19)16(10-13)22-23(20,21)14-7-4-12(3)5-8-14/h4-11H,1-3H3
InChIKey TTZWCFOYCRZMNY-UHFFFAOYSA-N
Mol Weight 397.28 g/mol
Molecular Formula C17H17BrO4S
Exact Mass 396.003093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76lFGQNwUgi
Name 7-Bromo-4-isopropyl-2-(4-tolylsulfonyloxy)tropone
Alternate Name(s) 6-Bromo-3-isopropyl-7-oxo-1,3,5-cycloheptatrien-1-yl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrO4S
InChI InChI=1S/C17H17BrO4S/c1-11(2)13-6-9-15(18)17(19)16(10-13)22-23(20,21)14-7-4-12(3)5-8-14/h4-11H,1-3H3
InChIKey TTZWCFOYCRZMNY-UHFFFAOYSA-N
Molecular Weight 397.283 g/mol
SMILES C=1(OS(c2ccc(cc2)C)(=O)=O)C(C(=CC=C(C1)C(C)C)Br)=O
SPLASH splash10-0a59-3908000000-724d3831b91d5c67784b
Source of Spectrum AJ-66-3453-5
Wiley ID 772422