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1-Chloro-2-methyl-1-(p-tolylsulfinyl)heptyl acetate
SpectraBase Compound ID 8vK0kSHR98u
InChI InChI=1S/C17H25ClO3S/c1-5-6-7-8-14(3)17(18,21-15(4)19)22(20)16-11-9-13(2)10-12-16/h9-12,14H,5-8H2,1-4H3
InChIKey QUANQQFRUFWEOY-UHFFFAOYSA-N
Mol Weight 344.9 g/mol
Molecular Formula C17H25ClO3S
Exact Mass 344.121294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XeVd0pU9I
Name 1-Chloro-2-methyl-1-(p-tolylsulfinyl)heptyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25ClO3S
InChI InChI=1S/C17H25ClO3S/c1-5-6-7-8-14(3)17(18,21-15(4)19)22(20)16-11-9-13(2)10-12-16/h9-12,14H,5-8H2,1-4H3
InChIKey QUANQQFRUFWEOY-UHFFFAOYSA-N
Molecular Weight 344.897 g/mol
SMILES C(C)(=O)OC(C(CCCCC)C)(S(=O)c1ccc(cc1)C)Cl
SPLASH splash10-0006-7910000000-c1ef03cbe50cd1424aa8
Source of Spectrum KC-61-10274-0
Synonyms 1-Chloro-2-methyl-1-(p-tolylsulfinyl)heptyl acetate isomer 1-Chloro-2-methyl-1-[(4-methylphenyl)sulfinyl]heptyl acetate
Wiley ID 1630942