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2-heptyl-2H-furan-5-one

View entire compound with spectra: 3 MS (GC)

2-heptyl-2H-furan-5-one
SpectraBase Compound ID djarGscO5i
InChI InChI=1S/C11H18O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h8-10H,2-7H2,1H3
InChIKey HAIDOUOHWZTISS-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55hWucRYqcQ
Name 2-Heptyl-2H-furan-5-one
Classification Butenolides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h8-10H,2-7H2,1H3
InChIKey HAIDOUOHWZTISS-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
Number of Peaks 19
SMILES C1=CC(OC1CCCCCCC)=O
SPLASH splash10-0a5d-9100000000-4f43ed1ee696de754757
Source of Spectrum FF-33-168-(+/_)_1f (DOI: 10.1002/ffj.3415)
Synonyms 5-Heptylfuran-2(5H)-one
Wiley ID 1812914