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2,2,7,7-tetramethyloctanedioic acid
SpectraBase Compound ID 5wXzYoVtXS2
InChI InChI=1S/C12H22O4/c1-11(2,9(13)14)7-5-6-8-12(3,4)10(15)16/h5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKey HTGDDXZLPDBWRI-UHFFFAOYSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfsGbDHzufi
Name Octanedioic acid, 2,2,7,7-tetramethyl-
Alternate Name(s) 2,2,7,7-Tetramethyloctanedioic acid 2,2,7,7-tetramethylsuberic acid
CAS Registry Number 16386-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-11(2,9(13)14)7-5-6-8-12(3,4)10(15)16/h5-8H2,1-4H3,(H,13,14)(H,15,16)
InChIKey HTGDDXZLPDBWRI-UHFFFAOYSA-N
Molecular Weight 230.304 g/mol
SMILES OC(C(CCCCC(C(=O)O)(C)C)(C)C)=O
SPLASH splash10-052r-9200000000-8590a7d14ab3265dc0f9
Wiley ID 1491233