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2-Furancarboxylic acid, 5-(1-hydroxyheptyl)-
SpectraBase Compound ID 2oFtzY7LRkA
InChI InChI=1S/C12H18O4/c1-2-3-4-5-6-9(13)10-7-8-11(16-10)12(14)15/h7-9,13H,2-6H2,1H3,(H,14,15)
InChIKey IOZHRZTUURYEQJ-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 J298KNs5lyj
Name 2-Furancarboxylic acid, 5-(1-hydroxyheptyl)-
CAS Registry Number 78742-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-2-3-4-5-6-9(13)10-7-8-11(16-10)12(14)15/h7-9,13H,2-6H2,1H3,(H,14,15)
InChIKey IOZHRZTUURYEQJ-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES OC(c1oc(C(=O)O)cc1)CCCCCC
SPLASH splash10-006x-1900000000-6cffcbc947098a9d432e
Source of Spectrum KC-1981-1128-0
Synonyms 5-(1-hydroxyheptyl)-2-furoic acid 5-(1-Hydroxyheptyl)furan-2-carboxylic acid
Wiley ID 1227239