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2-Octyl-2H-furan-5-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Octyl-2H-furan-5-one
SpectraBase Compound ID CPTPqQEqBtl
InChI InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-11H,2-8H2,1H3
InChIKey BWXCHUAWFSHXMU-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AdyEcIxhsk
Name 2-Octyl-2H-furan-5-one
Alternate Name(s) 5-Octyl-2(5H)-furanone 5-Octylfuran-2(5H)-one EINECS 241-746-9
CAS Registry Number 17756-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-11H,2-8H2,1H3
InChIKey BWXCHUAWFSHXMU-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES C1(OC(CCCCCCCC)C=C1)=O
SPLASH splash10-0006-9100000000-ba167c80f8f5f28e8e75
Source of Spectrum F-46-7501-14
Wiley ID 1193605