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3-Furancarboxylic acid, 2-(1-hydroxyheptyl)-
SpectraBase Compound ID BtQpU4ZtPh6
InChI InChI=1S/C12H18O4/c1-2-3-4-5-6-10(13)11-9(12(14)15)7-8-16-11/h7-8,10,13H,2-6H2,1H3,(H,14,15)
InChIKey NQKPUYLTNJPEQV-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbF33DQ6hxo
Name 3-Furancarboxylic acid, 2-(1-hydroxyheptyl)-
CAS Registry Number 78742-88-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-2-3-4-5-6-10(13)11-9(12(14)15)7-8-16-11/h7-8,10,13H,2-6H2,1H3,(H,14,15)
InChIKey NQKPUYLTNJPEQV-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES OC(c1c(C(=O)O)cco1)CCCCCC
SPLASH splash10-00dl-0900000000-2e271b9babd29d6670c1
Source of Spectrum KC-1981-1130-0
Synonyms 2-(1-hydroxyheptyl)-3-furoic acid 2-(1-Hydroxyheptyl)furan-3-carboxylic acid
Wiley ID 1227240