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3-Oxo-14-pentyl-trans-oxa-cyclotetradec-5-ene-8-spiro-2'-(1,3-dithiane)
SpectraBase Compound ID 6xwGvp6my5A
InChI InChI=1S/C21H36O2S2/c1-2-3-6-12-19-13-7-4-9-15-21(24-17-11-18-25-21)16-10-5-8-14-20(22)23-19/h5,10,19H,2-4,6-9,11-18H2,1H3/b10-5+
InChIKey MNEWVKFZNISTPH-BJMVGYQFSA-N
Mol Weight 384.6 g/mol
Molecular Formula C21H36O2S2
Exact Mass 384.215673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyC77BEvbKr
Name 3-Oxo-14-pentyl-trans-oxa-cyclotetradec-5-ene-8-spiro-2'-(1,3-dithiane)
CAS Registry Number 115482-36-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H36O2S2
InChI InChI=1S/C21H36O2S2/c1-2-3-6-12-19-13-7-4-9-15-21(24-17-11-18-25-21)16-10-5-8-14-20(22)23-19/h5,10,19H,2-4,6-9,11-18H2,1H3/b10-5+
InChIKey MNEWVKFZNISTPH-BJMVGYQFSA-N
Instrument Name SF = 250 MHz
Literature Reference S.L. Schreiber, S.E. Kelly, J.A.Porco, J. Am. Chem. Soc. 110, 6210 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3