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1-(2,5-dimethoxyphenyl)-1,4-butanediol
SpectraBase Compound ID 1IhQWZcsBIY
InChI InChI=1S/C12H18O4/c1-15-9-5-6-12(16-2)10(8-9)11(14)4-3-7-13/h5-6,8,11,13-14H,3-4,7H2,1-2H3
InChIKey KTISAYFJQGZVPC-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVYdjcK1CnQ
Name 1-(2,5-dimethoxyphenyl)-1,4-butanediol
CAS Registry Number 125379-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-15-9-5-6-12(16-2)10(8-9)11(14)4-3-7-13/h5-6,8,11,13-14H,3-4,7H2,1-2H3
InChIKey KTISAYFJQGZVPC-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES OC(CCCO)c1c(ccc(c1)OC)OC
SPLASH splash10-014r-0910000000-b19c137ddc9e2f1c1354
Source of Spectrum K-123-1362-44
Wiley ID 1227317