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METHYL-(1RS,5RS,6SR,9RS,10SR)-4,4-DIMETHYL-2-OXO-3-OXATRICYCLO-[4.4.0.0]-DECANE-10-CARBOXYLATE
SpectraBase Compound ID 6zXcH5HQkbt
InChI InChI=1S/C13H18O4/c1-13(2)10-6-4-5-7(10)9(12(15)17-13)8(6)11(14)16-3/h6-10H,4-5H2,1-3H3/t6-,7+,8-,9+,10+/m0/s1
InChIKey LLXCHTUUOGHBLX-SQXHDICFSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwC9Zy3V1Se
Name Methyl (1RS,5RS,6SR,9RS,10SR)-4,4-Di-methyl-2-oxo-3-oxatricyclo[4.4.0.9(5,9)]decane-10-carboxylate
CAS Registry Number 126664-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-13(2)10-6-4-5-7(10)9(12(15)17-13)8(6)11(14)16-3/h6-10H,4-5H2,1-3H3/t6-,7+,8-,9+,10+/m0/s1
InChIKey LLXCHTUUOGHBLX-SQXHDICFSA-N
Molecular Weight 238.283 g/mol
SMILES [C@@]12(C(OC([C@]3([C@@]2(CC[C@]3([C@@]1(C(=O)OC)[H])[H])[H])[H])(C)C)=O)[H]
SPLASH splash10-007o-9610000000-fd489ab8ab5efe9563ae
Source of Spectrum K-123-1717-3
Synonyms Methyl 3,3-dimethyl-5-oxo-4-oxatricyclo[4.4.0.0(2,8)]decane-7-carboxylate
Wiley ID 209000