For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1R*,3R*,5S*,8S*)-1,5-dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]oct-3-yl-acetate

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

(1R*,3R*,5S*,8S*)-1,5-dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]oct-3-yl-acetate
SpectraBase Compound ID 77ou9HCSeSS
InChI InChI=1S/C15H22O4/c1-10(16)5-6-13-14(3)7-12(19-11(2)17)8-15(13,4)18-9-14/h5-6,12-13H,7-9H2,1-4H3/b6-5+/t12-,13+,14+,15+/m1/s1
InChIKey JLOGTRPPPYSRBU-VAOTXTKJSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 65aUmlIPPaT
Name (1R*,3R*,5S*,8S*)-1,5-Dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]oct-3-yl-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.151809184 u
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-10(16)5-6-13-14(3)7-12(19-11(2)17)8-15(13,4)18-9-14/h5-6,12-13H,7-9H2,1-4H3/b6-5+/t12-,13+,14+,15+/m1/s1
InChIKey JLOGTRPPPYSRBU-VAOTXTKJSA-N
Molecular Weight 266.337 g/mol
SMILES C1[C@](C[C@@]2(OC[C@@]1(C)[C@@]2(\C=C\C(C)=O)[H])C)(OC(=O)C)[H]