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5-(Tert-butyl)-3-methylbenzofuran-2(3H)-one
SpectraBase Compound ID 5o5jhMMJQ8Y
InChI InChI=1S/C13H16O2/c1-8-10-7-9(13(2,3)4)5-6-11(10)15-12(8)14/h5-8H,1-4H3
InChIKey SZTGSZHOYYPCAP-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Brs0CYnKHTI
Name 5-(Tert-butyl)-3-methylbenzofuran-2(3H)-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-8-10-7-9(13(2,3)4)5-6-11(10)15-12(8)14/h5-8H,1-4H3
InChIKey SZTGSZHOYYPCAP-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF GCX
Ionization Type EI
Literature Reference DOI 10.1002/chem.201705808
Molecular Weight 204.269 g/mol
Quality 25
Reported Formula C13H16O2
SMILES C(C1=CC2=C(C=C1)OC(C2C)=O)(C)(C)C
SPLASH splash10-03dr-0910000000-fd8e98eee14ae5b0a5bd
Source of Spectrum QE-24-SM49-2h (DOI: 10.1002/chem.201705808)
Thin-Layer Chromatography 0.29 (CyH/EtOAc, 95:5)
Wiley ID 1900096