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3-Furanheptanoic acid, 4-(carboxymethyl)-2,5-dihydro-5-oxo-
SpectraBase Compound ID 2CCnrDFgddh
InChI InChI=1S/C13H18O6/c14-11(15)6-4-2-1-3-5-9-8-19-13(18)10(9)7-12(16)17/h1-8H2,(H,14,15)(H,16,17)
InChIKey LFPCDXQWTGOINQ-UHFFFAOYSA-N
Mol Weight 270.28 g/mol
Molecular Formula C13H18O6
Exact Mass 270.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IO4hQu5Vff3
Name 3-Furanheptanoic acid, 4-(carboxymethyl)-2,5-dihydro-5-oxo-
CAS Registry Number 80421-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O6
InChI InChI=1S/C13H18O6/c14-11(15)6-4-2-1-3-5-9-8-19-13(18)10(9)7-12(16)17/h1-8H2,(H,14,15)(H,16,17)
InChIKey LFPCDXQWTGOINQ-UHFFFAOYSA-N
Molecular Weight 270.281 g/mol
SMILES OC(CCCCCCC=1COC(C1CC(=O)O)=O)=O
SPLASH splash10-07mi-8940000000-af33b43c127d19401739
Source of Spectrum K-114-3735-0
Synonyms 7-[4-(carboxymethyl)-5-oxo-2,5-dihydro-3-furanyl]heptanoic acid Zu-4-(carboxymethyl)-2,5-dihydro-5-oxo-3-furanheptanoic acid
Wiley ID 1273849