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(3rs,5rs)-5-Phenylsulfanyl-1-oxaspiro[5.5]undecan-3-yl ethanoate

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

(3rs,5rs)-5-Phenylsulfanyl-1-oxaspiro[5.5]undecan-3-yl ethanoate
SpectraBase Compound ID 5qgXvb216m2
InChI InChI=1S/C18H24O3S/c1-14(19)21-15-12-17(22-16-8-4-2-5-9-16)18(20-13-15)10-6-3-7-11-18/h2,4-5,8-9,15,17H,3,6-7,10-13H2,1H3
InChIKey JPOCGSAFUZLCHB-UHFFFAOYSA-N
Mol Weight 320.45 g/mol
Molecular Formula C18H24O3S
Exact Mass 320.144616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTYa6cxOYab
Name (3rs,5rs)-5-Phenylsulfanyl-1-oxaspiro[5.5]undecan-3-yl ethanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.144615804 u
Formula C18H24O3S
InChI InChI=1S/C18H24O3S/c1-14(19)21-15-12-17(22-16-8-4-2-5-9-16)18(20-13-15)10-6-3-7-11-18/h2,4-5,8-9,15,17H,3,6-7,10-13H2,1H3
InChIKey JPOCGSAFUZLCHB-UHFFFAOYSA-N
Molecular Weight 320.447 g/mol
SMILES C(C)(=O)OC1COC2(C(C1)SC=1C=CC=CC1)CCCCC2