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(+)-(S)-2-(3,4-Dimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)butanoic acid
SpectraBase Compound ID DDZCaMWvOjb
InChI InChI=1S/C19H20O6/c1-22-15-8-5-13(10-17(15)23-2)14(19(20)21)6-3-12-4-7-16-18(9-12)25-11-24-16/h4-5,7-10,14H,3,6,11H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKey NJXPVUKNVPYQPP-AWEZNQCLSA-N
Mol Weight 344.36 g/mol
Molecular Formula C19H20O6
Exact Mass 344.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LTxvllWxWm
Name (+)-(S)-2-(3,4-Dimethoxyphenyl)-4-(3,4-methylenedioxyphenyl)butanoic acid
Alternate Name(s) (2S)-4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O6
InChI InChI=1S/C19H20O6/c1-22-15-8-5-13(10-17(15)23-2)14(19(20)21)6-3-12-4-7-16-18(9-12)25-11-24-16/h4-5,7-10,14H,3,6,11H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKey NJXPVUKNVPYQPP-AWEZNQCLSA-N
Molecular Weight 344.363 g/mol
SMILES OC([C@](c1cc(OC)c(cc1)OC)(CCc1cc2OCOc2cc1)[H])=O
SPLASH splash10-01b9-2980000000-197f27f7ea0084e157bf
Source of Spectrum QC-11-1233-3
Wiley ID 859676