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

*Links on SpectraBase are not permalinks.
(1S*,7S*,8S*,11R*)-1-(Ethoxycarbonyl)-8-methyl-13-oxatricyclo[5.4.1.1(8,11)]tridecan-12-one
SpectraBase Compound ID IB229TTr0gu
InChI InChI=1S/C16H24O4/c1-3-19-14(18)16-9-6-4-5-7-11(13(16)17)15(2)10-8-12(16)20-15/h11-12H,3-10H2,1-2H3/t11-,12-,15+,16+/m1/s1
InChIKey CLLMCTWGQSBRQP-MPTQWLOMSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID ybXjnTEpc
Name (1S*,7S*,8S*,11R*)-1-(Ethoxycarbonyl)-8-methyl-13-oxatricyclo[5.4.1.1(8,11)]tridecan-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-3-19-14(18)16-9-6-4-5-7-11(13(16)17)15(2)10-8-12(16)20-15/h11-12H,3-10H2,1-2H3/t11-,12-,15+,16+/m1/s1
InChIKey CLLMCTWGQSBRQP-MPTQWLOMSA-N
Molecular Weight 280.364 g/mol
SMILES [C@@]12(C([C@@](CCCCC2)([C@]2(O[C@@]1(CC2)[H])C)[H])=O)C(=O)OCC
SPLASH splash10-001f-5090000000-a3823ae3ebae63a90ffc
Source of Spectrum J-64-4129-16
Synonyms (1R*,7R*,8R*,11S*)-1-(Ethoxycarbonyl)-8-methyl-13-oxatricyclo[5.4.1.1(8,11)]tridecan-12-one Ethyl (1S,7S,8S,11R)-8-methyl-12-oxo-13-oxatricyclo[5.4.1.1(8,11)]tridecane-1-carboxylate
Wiley ID 1530254