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1-(2-Methoxyphenyl)pentan-1-one
SpectraBase Compound ID B6TAPLNb5LJ
InChI InChI=1S/C12H16O2/c1-3-4-8-11(13)10-7-5-6-9-12(10)14-2/h5-7,9H,3-4,8H2,1-2H3
InChIKey BDXUPRHNPQNYBK-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hCyIboJb04
Name 1-(2-Methoxyphenyl)pentan-1-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.115029753 u
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-3-4-8-11(13)10-7-5-6-9-12(10)14-2/h5-7,9H,3-4,8H2,1-2H3
InChIKey BDXUPRHNPQNYBK-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004840
Molecular Weight 192.258 g/mol
Quality 97
SMILES C=1C=CC=C(C(=O)CCCC)C1OC
SPLASH splash10-000i-1900000000-70315ee0de80913f8f56
Source of Spectrum QE-27-SM32-2g (DOI: 10.1002/chem.202004840)
Thin-Layer Chromatography 0.48 (petroleum ether/Et2O, 95:5)
Wiley ID 1902305