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2-Hydroxypropane-1,2,3-tricarboxylicacid,dimethyl ester
SpectraBase Compound ID 8rnZ54VqpLd
InChI InChI=1S/C8H12O7/c1-14-6(11)4-8(13,3-5(9)10)7(12)15-2/h13H,3-4H2,1-2H3,(H,9,10)
InChIKey OMIHCBSQSYMFDP-UHFFFAOYSA-N
Mol Weight 220.18 g/mol
Molecular Formula C8H12O7
Exact Mass 220.058303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIfnY0ZkPK4
Name 2-Hydroxypropane-1,2,3-tricarboxylicacid,dimethyl ester
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 220.058302719 u
Formula C8H12O7
InChI InChI=1S/C8H12O7/c1-14-6(11)4-8(13,3-5(9)10)7(12)15-2/h13H,3-4H2,1-2H3,(H,9,10)
InChIKey OMIHCBSQSYMFDP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 220.177 g/mol
Nominal Mass 220 u
Quality 920
Retention Index 1510
SMILES OC(CC(C(OC)=O)(CC(OC)=O)O)=O
SPLASH splash10-0006-5900000000-60a7310271e8d17473a6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Hydroxy-5-methoxy-3-(methoxycarbonyl)-5-oxopentanoic acid
Technique GC/MS
Wiley ID DD2024_030559