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2-Coumaranone
SpectraBase Compound ID 6evsaJBOqrI
InChI InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2
InChIKey ACZGCWSMSTYWDQ-UHFFFAOYSA-N
Mol Weight 134.13 g/mol
Molecular Formula C8H6O2
Exact Mass 134.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUEgFb1XJMW
Name Benzofuran-2(3H)-one
Appearance Pale-yellow solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 134.036779431 u
Formula C8H6O2
GC Oven Program Oven temp 300oC
InChI InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2
InChIKey ACZGCWSMSTYWDQ-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101278
Quality 171
SMILES C12=C(C=CC=C2)OC(C1)=O
SPLASH splash10-004i-9500000000-163c85d7826fd4ffe297
Source of Spectrum K1-2022-SM5-4a (DOI: 10.1002/ejoc.202101278)
Thin-Layer Chromatography 0.11 (cyclohexane/EtOAc, 15:1)
Wiley ID 1898548