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(8R,14R)-2,5,6-Trioxo-8-(benzyloxy)-14-penyl-1-oxacyclotetradecane
SpectraBase Compound ID IRuztgfNtAC
InChI InChI=1S/C25H36O5/c1-2-3-6-13-21-14-9-5-10-15-22(29-19-20-11-7-4-8-12-20)18-24(27)23(26)16-17-25(28)30-21/h4,7-8,11-12,21-22H,2-3,5-6,9-10,13-19H2,1H3/t21-,22?/m1/s1
InChIKey BUVSPSZXHOQDEB-ZMFCMNQTSA-N
Mol Weight 416.6 g/mol
Molecular Formula C25H36O5
Exact Mass 416.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWXaduHpTHL
Name (8R,14R)-2,5,6-Trioxo-8-(benzyloxy)-14-penyl-1-oxacyclotetradecane
Alternate Name(s) (8R,14R)-8-(benzyloxy)-14-pentyloxacyclotetradecane-2,5,6-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-2-3-6-13-21-14-9-5-10-15-22(29-19-20-11-7-4-8-12-20)18-24(27)23(26)16-17-25(28)30-21/h4,7-8,11-12,21-22H,2-3,5-6,9-10,13-19H2,1H3/t21-,22?/m1/s1
InChIKey BUVSPSZXHOQDEB-ZMFCMNQTSA-N
Molecular Weight 416.558 g/mol
SMILES C1(C(=O)CCC(O[C@@](CCCCC)([H])CCCCCC(OCc2ccccc2)C1)=O)=O
SPLASH splash10-0006-9000000000-bd7cdf97403c5f62c9c4
Source of Spectrum C-119-9135-27
Wiley ID 760537