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1,7-HEPTANEDICARBOXYLIC-ACID
SpectraBase Compound ID BLKjK3sQEWI
InChI InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChIKey BDJRBEYXGGNYIS-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYcCRy3m9Sa
Name Azelaic acid
CAS Registry Number 123-99-9
Classification Anti-acne
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 188.104858991 u
Formula C9H16O4
InChI InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChIKey BDJRBEYXGGNYIS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 188.223 g/mol
Nominal Mass 188 u
Quality 872
Retention Index 1862
SMILES OC(CCCCCCCC(=O)O)=O
SPLASH splash10-0nu0-9400000000-04c09318bdd298b7e239
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Nonane diacid nonanedioic acid
Technique GC/MS
Wiley ID DD2024_012911