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3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxidanylidene-butanoic acid
SpectraBase Compound ID L03R6zhJCih
InChI InChI=1S/C13H14O6/c1-17-13(16)9(6-12(14)15)4-8-2-3-10-11(5-8)19-7-18-10/h2-3,5,9H,4,6-7H2,1H3,(H,14,15)
InChIKey FFMSTQGYTSQYCT-UHFFFAOYSA-N
Mol Weight 266.25 g/mol
Molecular Formula C13H14O6
Exact Mass 266.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQcKefFYM2p
Name 3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxidanylidene-butanoic acid
CAS Registry Number 96548-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O6
InChI InChI=1S/C13H14O6/c1-17-13(16)9(6-12(14)15)4-8-2-3-10-11(5-8)19-7-18-10/h2-3,5,9H,4,6-7H2,1H3,(H,14,15)
InChIKey FFMSTQGYTSQYCT-UHFFFAOYSA-N
Molecular Weight 266.249 g/mol
SMILES OC(CC(C(=O)OC)Cc1cc2OCOc2cc1)=O
SPLASH splash10-000i-1940000000-8423d0664479dc827876
Source of Spectrum B-41-912-8
Synonyms 3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxo-butanoic acid 4-keto-4-methoxy-3-piperonyl-butyric acid
Wiley ID 1269687