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OBTTZAFAGQEVHZ-IZZDOVSWSA-N

View entire compound with spectra: 4 NMR, and 2 MS (GC)

OBTTZAFAGQEVHZ-IZZDOVSWSA-N
SpectraBase Compound ID Wn2mD0tRH1
InChI InChI=1S/C15H20O3/c1-4-11(2)6-5-7-12(3)8-14-9-13(10-18-14)15(16)17/h4,6,9-10,12H,1,5,7-8H2,2-3H3,(H,16,17)/b11-6+
InChIKey OBTTZAFAGQEVHZ-IZZDOVSWSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JibwU3AyyFf
Name 5-[(5E)-2,6-dimethylocta-5,7-dienyl]-3-furancarboxylic acid
CAS Registry Number 85679-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-4-11(2)6-5-7-12(3)8-14-9-13(10-18-14)15(16)17/h4,6,9-10,12H,1,5,7-8H2,2-3H3,(H,16,17)/b11-6+
InChIKey OBTTZAFAGQEVHZ-IZZDOVSWSA-N
Molecular Weight 248.322 g/mol
SMILES OC(c1cc(CC(CC\C=C\(C=C)C)C)oc1)=O
SPLASH splash10-001s-9450000000-bc98121526ea249e2e04
Source of Spectrum B-36-375-0
Synonyms 5-[(5E)-2,6-dimethylocta-5,7-dienyl]-3-furoic acid 5-[(5E)-2,6-dimethylocta-5,7-dienyl]furan-3-carboxylic acid
Wiley ID 1251248