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methyl 2-methyl-6-(3-morpholino-3-oxo-propyl)benzoate
SpectraBase Compound ID FXJGb1TLyb
InChI InChI=1S/C16H21NO4/c1-12-4-3-5-13(15(12)16(19)20-2)6-7-14(18)17-8-10-21-11-9-17/h3-5H,6-11H2,1-2H3
InChIKey BKLOXRHGNIWDEL-UHFFFAOYSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBBimt2qVqH
Name methyl 2-methyl-6-(3-morpholino-3-oxo-propyl)benzoate
Appearance Colorless liquid
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Exact Mass 291.147058156 u
Formula C16H21NO4
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C16H21NO4/c1-12-4-3-5-13(15(12)16(19)20-2)6-7-14(18)17-8-10-21-11-9-17/h3-5H,6-11H2,1-2H3
InChIKey BKLOXRHGNIWDEL-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Quality 40
Reported Formula C16H21NO4
SMILES COC(C1=C(C=CC=C1CCC(=O)N1CCOCC1)C)=O
SPLASH splash10-0002-0920000000-364b225225a56a2dbfbc
Source of Spectrum QE-24-SM21-3al (DOI: 10.1002/chem.201800757)
Wiley ID 1900138