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(E)-9-Benzenesulfonyl-9-carbomethoxy-15-hydroxy-6-pentadecenoic lactone
SpectraBase Compound ID AO684px9YvU
InChI InChI=1S/C23H32O6S/c1-28-22(25)23(30(26,27)20-14-8-7-9-15-20)17-11-4-2-3-10-16-21(24)29-19-13-6-5-12-18-23/h4,7-9,11,14-15H,2-3,5-6,10,12-13,16-19H2,1H3/b11-4+
InChIKey ACKCDQIUGLUAHX-NYYWCZLTSA-N
Mol Weight 436.6 g/mol
Molecular Formula C23H32O6S
Exact Mass 436.19196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KAP5KZWRubZ
Name (E)-9-Benzenesulfonyl-9-carbomethoxy-15-hydroxy-6-pentadecenoic lactone
CAS Registry Number 63294-80-4
Comments C15-SHIFT IS CHANGED FROM 75.80 PPM TO 65.80 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H32O6S
InChI InChI=1S/C23H32O6S/c1-28-22(25)23(30(26,27)20-14-8-7-9-15-20)17-11-4-2-3-10-16-21(24)29-19-13-6-5-12-18-23/h4,7-9,11,14-15H,2-3,5-6,10,12-13,16-19H2,1H3/b11-4+
InChIKey ACKCDQIUGLUAHX-NYYWCZLTSA-N
Instrument Name Jeol FX-60
Literature Reference B.M. Trost, T.R. Verhoeven, J. Am. Chem. Soc. 102, 4743 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3