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12-Oxotridecanoic acid

View entire compound with spectra: 4 MS (GC)

12-Oxotridecanoic acid
SpectraBase Compound ID EYbzHKawr9p
InChI InChI=1S/C13H24O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h2-11H2,1H3,(H,15,16)
InChIKey NRVDTUOVKXZNCW-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GDvFulzCy
Name 12-Oxotridecanoic acid
Alternate Name(s) 12-Oxo-tridecanoic Acid 12-Ketotridecanoic acid 12-oxidanylidenetridecanoic acid Tridecanoic acid, 12-oxo- EINECS 219-060-6
CAS Registry Number 2345-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h2-11H2,1H3,(H,15,16)
InChIKey NRVDTUOVKXZNCW-UHFFFAOYSA-N
Molecular Weight 228.332 g/mol
SMILES OC(CCCCCCCCCCC(C)=O)=O
SPLASH splash10-0ff3-9820000000-a4db06a6d350661c023b
Source of Spectrum X4-28-236-0
Wiley ID 1586478