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5-Hydroxy-2-(phenylsulfonyl)cyclopentadecanone
SpectraBase Compound ID FGC2HgTtj4x
InChI InChI=1S/C21H32O4S/c22-18-12-8-5-3-1-2-4-6-11-15-20(23)21(17-16-18)26(24,25)19-13-9-7-10-14-19/h7,9-10,13-14,18,21-22H,1-6,8,11-12,15-17H2
InChIKey IGLWIBVYVGUQFV-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O4S
Exact Mass 380.202131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGZ2y7NXitX
Name 5-Hydroxy-2-(phenylsulfonyl)cyclopentadecanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.202130680 u
Formula C21H32O4S
InChI InChI=1S/C21H32O4S/c22-18-12-8-5-3-1-2-4-6-11-15-20(23)21(17-16-18)26(24,25)19-13-9-7-10-14-19/h7,9-10,13-14,18,21-22H,1-6,8,11-12,15-17H2
InChIKey IGLWIBVYVGUQFV-UHFFFAOYSA-N
Molecular Weight 380.543 g/mol
SMILES C1C(CCCCCCCCCCC(C(C1)S(C1=CC=CC=C1)(=O)=O)=O)O