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methyl 5-acetamido-2-(3-oxobutyl)benzoate
SpectraBase Compound ID 5UJbodI7olu
InChI InChI=1S/C14H17NO4/c1-9(16)4-5-11-6-7-12(15-10(2)17)8-13(11)14(18)19-3/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKey GVNLSMBJFONDFY-UHFFFAOYSA-N
Mol Weight 263.29 g/mol
Molecular Formula C14H17NO4
Exact Mass 263.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETprYJFQnbR
Name methyl 5-acetamido-2-(3-oxobutyl)benzoate
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.115758027 u
Formula C14H17NO4
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C14H17NO4/c1-9(16)4-5-11-6-7-12(15-10(2)17)8-13(11)14(18)19-3/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKey GVNLSMBJFONDFY-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Molecular Weight 263.293 g/mol
Quality 38
Reported Formula C14H17NO4
SMILES N(C=1C=CC(=C(C(OC)=O)C1)CCC(C)=O)C(C)=O
SPLASH splash10-0005-4900000000-d7f893fc92318e6f82c4
Source of Spectrum QE-24-SM14-3ka (DOI: 10.1002/chem.201800757)
Wiley ID 1900150