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2-Isopropyl-2,3-dihydrobenzofuran
SpectraBase Compound ID 9AAYUcUMchY
InChI InChI=1S/C11H14O/c1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-6,8,11H,7H2,1-2H3
InChIKey QKFFZNPEDJETGC-UHFFFAOYSA-N
Mol Weight 162.23 g/mol
Molecular Formula C11H14O
Exact Mass 162.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96Kuz1nKLSt
Name 2-Isopropyl-2,3-dihydrobenzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 162.104465070 u
Formula C11H14O
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/C11H14O/c1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-6,8,11H,7H2,1-2H3
InChIKey QKFFZNPEDJETGC-UHFFFAOYSA-N
Instrument Name 5937 series II or HP6890-HP5970A
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404903
Molecular Weight 162.232 g/mol
Optical Rotation [a]D20 = +11.8 (c = 0.39, CH2Cl2)
Quality 225
SMILES C(C)(C)C1OC2=C(C1)C=CC=C2
SPLASH splash10-0cdi-1900000000-12b568083b0d8af7e5e9
Sample Comments 97% ee
Source of Spectrum QE-21-SM57-53 (DOI: 10.1002/chem.201404903)
Thin-Layer Chromatography 0.47 (SiO2, n-pentane/EtOAc, 20:1)
Wiley ID 1906998