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7-(Phenylsulfonyl)-1-hydroxytetradecan-6-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-(Phenylsulfonyl)-1-hydroxytetradecan-6-one
SpectraBase Compound ID 2czIXyyIjdg
InChI InChI=1S/C20H32O4S/c1-2-3-4-5-11-16-20(19(22)15-10-7-12-17-21)25(23,24)18-13-8-6-9-14-18/h6,8-9,13-14,20-21H,2-5,7,10-12,15-17H2,1H3
InChIKey ZULJOASNRIIFRO-UHFFFAOYSA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H32O4S
Exact Mass 368.202131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5gSRUWZBCL
Name 7-(Phenylsulfonyl)-1-hydroxytetradecan-6-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.202130680 u
Formula C20H32O4S
InChI InChI=1S/C20H32O4S/c1-2-3-4-5-11-16-20(19(22)15-10-7-12-17-21)25(23,24)18-13-8-6-9-14-18/h6,8-9,13-14,20-21H,2-5,7,10-12,15-17H2,1H3
InChIKey ZULJOASNRIIFRO-UHFFFAOYSA-N
Molecular Weight 368.532 g/mol
SMILES C(S(=O)(=O)C=1C=CC=CC1)(C(=O)CCCCCO)CCCCCCC