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6-n-butyl-5-methoxy-4,7-benzofuranquinone
SpectraBase Compound ID I4alXl0RJPP
InChI InChI=1S/C13H14O4/c1-3-4-5-8-11(15)13-9(6-7-17-13)10(14)12(8)16-2/h6-7H,3-5H2,1-2H3
InChIKey ZTVCKOCPCJEUSJ-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBCWPoVLQ7e
Name 6-n-butyl-5-methoxy-4,7-benzofuranquinone
Alternate Name(s) 6-Butyl-5-methoxy-1-benzofuran-4,7-dione
CAS Registry Number 102683-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-3-4-5-8-11(15)13-9(6-7-17-13)10(14)12(8)16-2/h6-7H,3-5H2,1-2H3
InChIKey ZTVCKOCPCJEUSJ-UHFFFAOYSA-N
Molecular Weight 234.251 g/mol
SMILES c12c(C(=O)C(=C(C2=O)OC)CCCC)occ1
SPLASH splash10-0036-1930000000-a8ddbbef07fb2e968cdc
Source of Spectrum J-53-1001-3
Wiley ID 1235907