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Suberic acid monomethyl ester

View entire compound with spectra: 2 NMR, 3 FTIR, 1 Raman, and 3 MS (GC)

Suberic acid monomethyl ester
SpectraBase Compound ID CjBTvBbyYb9
InChI InChI=1S/C9H16O4/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3,(H,10,11)
InChIKey KOVPXZDUVJGGFU-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 DWGfW2qfgAf
Name 8-keto-8-methoxy-caprylic acid
CAS Registry Number 3946-32-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3,(H,10,11)
InChIKey KOVPXZDUVJGGFU-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES OC(CCCCCCC(OC)=O)=O
SPLASH splash10-060d-9300000000-f3b124e82134458483dc
Source of Spectrum NP-3-4055-0
Synonyms 8-Methoxy-8-oxidanylidene-octanoic acid 8-Methoxy-8-oxo-octanoic acid Suberic acid monomethyl ester
Wiley ID 1102712