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6-oxooctanoic acid
SpectraBase Compound ID LcpPJBUV2rB
InChI InChI=1S/C8H14O3/c1-2-7(9)5-3-4-6-8(10)11/h2-6H2,1H3,(H,10,11)
InChIKey PUOYTVHCFIDKJM-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SKMhcHCvaV
Name 6-oxooctanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 158.094294308 u
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-2-7(9)5-3-4-6-8(10)11/h2-6H2,1H3,(H,10,11)
InChIKey PUOYTVHCFIDKJM-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/asia.202201101
Molecular Weight 158.197 g/mol
Quality 1000
SMILES OC(CCCCC(CC)=O)=O
SPLASH splash10-0a4i-9200000000-10fadfaf2ff5f8dbbe6b
Source of Spectrum CAJ-18-SM10-10-3 (DOI: 10.1002/asia.202201101)
Wiley ID 1901102