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1-Benzyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)[tridecane
SpectraBase Compound ID 44ODIQzzdYM
InChI InChI=1S/C17H18O4/c1-16-12-10-7-11-13(12)17(21-16,8-9-5-3-2-4-6-9)20-15(11)18-14(10)19-16/h2-6,10-15H,7-8H2,1H3/t10-,11+,12-,13+,14+,15-,16-,17-/m0/s1
InChIKey MBWDVABHRCLGLI-QMAQRHRCSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8R7EMr7Laur
Name 1-Benzyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)[tridecane
Alternate Name(s) 1-Benzyl-11-methyl-8,10,12,13-tetraoxapentacyclo[5.5.1.0(2,6).0(3,11).0(4,9)]tridecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-16-12-10-7-11-13(12)17(21-16,8-9-5-3-2-4-6-9)20-15(11)18-14(10)19-16/h2-6,10-15H,7-8H2,1H3/t10-,11+,12-,13+,14+,15-,16-,17-/m0/s1
InChIKey MBWDVABHRCLGLI-QMAQRHRCSA-N
Molecular Weight 286.327 g/mol
SMILES [C@@]12([C@]3([C@@]4([C@@]5(C[C@]3([C@](O1)(O[C@@]5(O[C@]4(O2)C)[H])[H])[H])[H])[H])[H])Cc1ccccc1
SPLASH splash10-0005-5910000000-5669a7a2757ab29bcc88
Source of Spectrum J-60-7564-5
Wiley ID 1290030