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10-tert-Butyl-2,12-dioxatetracyclo[6.5.0.0(3,7).0(1,10)]tridecan-11-one isomer
SpectraBase Compound ID 3eesploI2NV
InChI InChI=1S/C15H22O3/c1-13(2,3)14-7-10-9-5-4-6-11(9)18-15(10,14)8-17-12(14)16/h9-11H,4-8H2,1-3H3/t9-,10-,11-,14-,15+/m0/s1
InChIKey CFFNMUQRTKMKII-UQXKVLDMSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZxconBh0cS
Name 10-tert-Butyl-2,12-dioxatetracyclo[6.5.0.0(3,7).0(1,10)]tridecan-11-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-13(2,3)14-7-10-9-5-4-6-11(9)18-15(10,14)8-17-12(14)16/h9-11H,4-8H2,1-3H3/t9-,10-,11-,14-,15+/m0/s1
InChIKey CFFNMUQRTKMKII-UQXKVLDMSA-N
Molecular Weight 250.338 g/mol
SMILES [C@]12([C@@]3(O[C@]4(CCC[C@]4([C@@]3(C2)[H])[H])[H])COC1=O)C(C)(C)C
SPLASH splash10-01b9-9630000000-e68c0add8019dcc807f2
Source of Spectrum K1-2204-4592-35
Wiley ID 1559805