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3-Methylglutaric acid
SpectraBase Compound ID DEIvtKSNZEd
InChI InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey XJMMNTGIMDZPMU-UHFFFAOYSA-N
Mol Weight 146.14 g/mol
Molecular Formula C6H10O4
Exact Mass 146.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43TEPn0qTw
Name 3-Methylglutaric acid
Alternate Name(s) .beta.-Methylglutaric acid 3-Methylpentanedioic acid Pentanedioic acid, 3-methyl-
CAS Registry Number 626-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O4
InChI InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey XJMMNTGIMDZPMU-UHFFFAOYSA-N
Molecular Weight 146.142 g/mol
SMILES OC(CC(CC(=O)O)C)=O
SPLASH splash10-0frf-9100000000-d1fe799cce033619d436
Source of Spectrum NP-1-3151-0
Wiley ID 1098512