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(1-methyl-2-oxidanylidene-cycloheptyl)methyl 4-methylbenzenesulfonate
SpectraBase Compound ID L741uPBLQi6
InChI InChI=1S/C16H22O4S/c1-13-7-9-14(10-8-13)21(18,19)20-12-16(2)11-5-3-4-6-15(16)17/h7-10H,3-6,11-12H2,1-2H3
InChIKey OKXQGXGAQMZFEK-UHFFFAOYSA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SiTRtyOzpb
Name (1-methyl-2-oxidanylidene-cycloheptyl)methyl 4-methylbenzenesulfonate
Alternate Name(s) (1-methyl-2-oxo-cycloheptyl)methyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (1-methyl-2-oxocycloheptyl)methyl ester 4-Methylbenzenesulfonic acid (2-keto-1-methyl-cycloheptyl)methyl ester
CAS Registry Number 131287-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-13-7-9-14(10-8-13)21(18,19)20-12-16(2)11-5-3-4-6-15(16)17/h7-10H,3-6,11-12H2,1-2H3
InChIKey OKXQGXGAQMZFEK-UHFFFAOYSA-N
Molecular Weight 310.408 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C1(C(=O)CCCCC1)C
SPLASH splash10-0a4i-0900000000-c8e34e2168f4527dd5a1
Source of Spectrum F-46-4226-14
Wiley ID 1311383