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(R)-(2-tert-Butyl-6-methyl-4-oxohept-1-yl)phenylsulfone
SpectraBase Compound ID 8refQyCu5Mr
InChI InChI=1S/C18H28O3S/c1-14(2)11-16(19)12-15(18(3,4)5)13-22(20,21)17-9-7-6-8-10-17/h6-10,14-15H,11-13H2,1-5H3/t15-/m0/s1
InChIKey TXOHVZWUAGTRMG-HNNXBMFYSA-N
Mol Weight 324.48 g/mol
Molecular Formula C18H28O3S
Exact Mass 324.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6L413y6j4N
Name (R)-(2-tert-Butyl-6-methyl-4-oxohept-1-yl)phenylsulfone
Alternate Name(s) (6R)-2,7,7-trimethyl-6-[(phenylsulfonyl)methyl]-4-octanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O3S
InChI InChI=1S/C18H28O3S/c1-14(2)11-16(19)12-15(18(3,4)5)13-22(20,21)17-9-7-6-8-10-17/h6-10,14-15H,11-13H2,1-5H3/t15-/m0/s1
InChIKey TXOHVZWUAGTRMG-HNNXBMFYSA-N
Molecular Weight 324.479 g/mol
SMILES C(S(=O)(=O)c1ccccc1)[C@@](C(C)(C)C)(CC(=O)CC(C)C)[H]
SPLASH splash10-052r-9120000000-f20eee7e2ac1359d36f9
Source of Spectrum F-49-1826-5
Wiley ID 1323200