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3,4-(methylenedioxy)mandelic acid
SpectraBase Compound ID JBZLvNPHGBr
InChI InChI=1S/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12)
InChIKey CLUJFRCEPFNVHW-UHFFFAOYSA-N
Mol Weight 196.16 g/mol
Molecular Formula C9H8O5
Exact Mass 196.037173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jtb7AK0Hxk
Name 1,3-Benzodioxol-5-yl(hydroxy)acetic acid
Alternate Name(s) 1,3-Benzodioxole-5-acetic acid, .alpha.-hydroxy- 2-(1,3-benzodioxol-5-yl)-2-hydroxy-acetic acid 2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethanoic acid 3,4-Methylenedioxymandelic acid EINECS 248-628-6
CAS Registry Number 27738-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O5
InChI InChI=1S/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12)
InChIKey CLUJFRCEPFNVHW-UHFFFAOYSA-N
Molecular Weight 196.158 g/mol
SMILES OC(C(c1ccc2c(c1)OCO2)O)=O
SPLASH splash10-0fr6-9300000000-1443b7594d00bd1c8abe
Source of Spectrum W5-0-0-0
Wiley ID 1192603