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3,6-Dimethyl-2,3-dihydrobenzofuran
SpectraBase Compound ID 3K2dkxEkRmF
InChI InChI=1S/C10H12O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-5,8H,6H2,1-2H3
InChIKey NUGFZCHRZRZHLK-UHFFFAOYSA-N
Mol Weight 148.2 g/mol
Molecular Formula C10H12O
Exact Mass 148.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlF5ib1gWrE
Name 3,6-Dimethyl-2,3-dihydrobenzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 148.088815005 u
Formula C10H12O
GC Column Macherey-Nagel OPTIMA1 or Macherey-Nagel OPTIMA5 (25 m x 0.2 mm or 30 m x 0.25 mm, film thickness 0.35 micrometer or 0.25 micrometer)
InChI InChI=1S/C10H12O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-5,8H,6H2,1-2H3
InChIKey NUGFZCHRZRZHLK-UHFFFAOYSA-N
Instrument Name 5933 series II or HP6890-HP5970A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404903
Molecular Weight 148.205 g/mol
Optical Rotation [a]D20 = -8.1 (c = 1.00, CHCl3)
Quality 223
SMILES CC=1C=CC2=C(C1)OCC2C
SPLASH splash10-053s-0900000000-6b76f94637f2e423bdc4
Sample Comments 91% ee
Source of Spectrum QE-21-SM53-28a (DOI: 10.1002/chem.201404903)
Thin-Layer Chromatography 0.70 (SiO2, cyclohexane/EtOAc, 9:1)
Wiley ID 1906980