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2,2-Octanedicarboxylic acid

View entire compound with spectra: 2 MS (GC)

2,2-Octanedicarboxylic acid
SpectraBase Compound ID LLEIwiLkyVu
InChI InChI=1S/C10H18O4/c1-3-4-5-6-7-10(2,8(11)12)9(13)14/h3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKey AYICGNRTLKPWKZ-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C10H18O4
Exact Mass 202.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZuSvarebQp
Name 2,2-Octanedicarboxylic acid
Alternate Name(s) 2-Hexyl-2-methyl-malonic acid 2-Hexyl-2-methyl-propanedioic acid Malonic acid, 2-hexyl-2-methyl-
CAS Registry Number 4360-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O4
InChI InChI=1S/C10H18O4/c1-3-4-5-6-7-10(2,8(11)12)9(13)14/h3-7H2,1-2H3,(H,11,12)(H,13,14)
InChIKey AYICGNRTLKPWKZ-UHFFFAOYSA-N
Molecular Weight 202.250 g/mol
SMILES OC(C(C(=O)O)(CCCCCC)C)=O
SPLASH splash10-0gbc-9600000000-b69d59bf9a3d0c7c04b0
Wiley ID 1491220