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2-Methyl-6-ethoxy-3-[(2-isopropyl-5-methylcyclohexyloxy)carbonyl]-1,4-oxathiin

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

2-Methyl-6-ethoxy-3-[(2-isopropyl-5-methylcyclohexyloxy)carbonyl]-1,4-oxathiin
SpectraBase Compound ID D17gh39BgVo
InChI InChI=1S/C18H30O4S/c1-6-20-16-10-23-17(13(5)21-16)18(19)22-15-9-12(4)7-8-14(15)11(2)3/h11-12,14-16H,6-10H2,1-5H3
InChIKey XLGKEDCLJYMFTG-UHFFFAOYSA-N
Mol Weight 342.49 g/mol
Molecular Formula C18H30O4S
Exact Mass 342.186481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWZ8fMIDmkv
Name 2-Methyl-6-ethoxy-3-[(2-isopropyl-5-methylcyclohexyloxy)carbonyl]-1,4-oxathiin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.186480616 u
Formula C18H30O4S
InChI InChI=1S/C18H30O4S/c1-6-20-16-10-23-17(13(5)21-16)18(19)22-15-9-12(4)7-8-14(15)11(2)3/h11-12,14-16H,6-10H2,1-5H3
InChIKey XLGKEDCLJYMFTG-UHFFFAOYSA-N
Molecular Weight 342.494 g/mol
SMILES C1(C(OC2C(CCC(C2)C)C(C)C)=O)=C(OC(CS1)OCC)C