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1-n-Butyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane
SpectraBase Compound ID Ibx557kv17l
InChI InChI=1S/C14H20O4/c1-3-4-5-14-10-8-6-7-9(10)13(2,18-14)16-11(7)15-12(8)17-14/h7-12H,3-6H2,1-2H3/t7-,8+,9-,10+,11+,12-,13+,14-/m0/s1
InChIKey USNWWVXZLBYUDW-GHKKJFFVSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35fKWPb6CO
Name 1-n-Butyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane
Alternate Name(s) 1-Butyl-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 C14H20O4
InChI InChI=1S/C14H20O4/c1-3-4-5-14-10-8-6-7-9(10)13(2,18-14)16-11(7)15-12(8)17-14/h7-12H,3-6H2,1-2H3/t7-,8+,9-,10+,11+,12-,13+,14-/m0/s1
InChIKey USNWWVXZLBYUDW-GHKKJFFVSA-N
Molecular Weight 252.310 g/mol
SMILES [C@]12([C@@]3([C@]4([C@]5(C[C@@]3([C@@](O1)(O[C@]5(O[C@]4(O2)CCCC)[H])[H])[H])[H])[H])[H])C
SPLASH splash10-03dr-0790000000-0aa6db1e4fe4a7250d4f
Source of Spectrum J-60-7564-5
Wiley ID 1255630