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Methyl (1S,2S,6R,7S,9R,10R)-9,10-O-isopropylidene-8-oxo-tricyclo[5.4.0.0(2,6)]undecane-1-carboxylate
SpectraBase Compound ID DGVCB33h29b
InChI InChI=1S/C16H22O5/c1-15(2)20-10-7-16(14(18)19-3)9-6-4-5-8(9)11(16)12(17)13(10)21-15/h8-11,13H,4-7H2,1-3H3/t8-,9+,10-,11-,13-,16+/m1/s1
InChIKey JCXMFTGAHKNLSV-BATCXFGISA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FoS14q22pE
Name Methyl (1S,2S,6R,7S,9R,10R)-9,10-O-isopropylidene-8-oxo-tricyclo[5.4.0.0(2,6)]undecane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-15(2)20-10-7-16(14(18)19-3)9-6-4-5-8(9)11(16)12(17)13(10)21-15/h8-11,13H,4-7H2,1-3H3/t8-,9+,10-,11-,13-,16+/m1/s1
InChIKey JCXMFTGAHKNLSV-BATCXFGISA-N
Molecular Weight 294.347 g/mol
SMILES [C@@]12([C@](C(=O)[C@]3([C@@](C2)(OC(C)(C)O3)[H])[H])([H])[C@]2([C@@]1(CCC2)[H])[H])C(=O)OC
SPLASH splash10-056u-8490000000-05d34a54d8525c216d14
Source of Spectrum KD-13-1360-9
Wiley ID 1635393