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3-Butyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one

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

3-Butyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
SpectraBase Compound ID H5QOSw78YlR
InChI InChI=1S/C12H18O2/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13/h11H,2-8H2,1H3
InChIKey FIRSSZCJYLCFQR-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWVaQgu7jxH
Name 3-Butyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13/h11H,2-8H2,1H3
InChIKey FIRSSZCJYLCFQR-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5CC01708D
Molecular Weight 194.274 g/mol
SMILES C1(OC2C(=C1CCCC)CCCC2)=O
SPLASH splash10-0udl-0900000000-63f6957928a85bb54742
Source of Spectrum KD-51-13082/SM5-6b
Wiley ID 1806473