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methyl 2-(3-oxobutyl)-1-naphthoate
SpectraBase Compound ID EdAzt0OY2Q8
InChI InChI=1S/C16H16O3/c1-11(17)7-8-13-10-9-12-5-3-4-6-14(12)15(13)16(18)19-2/h3-6,9-10H,7-8H2,1-2H3
InChIKey WGOFIBQKMYYMKN-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9N4DO18gev5
Name methyl 2-(3-oxobutyl)-1-naphthoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.109944372 u
Formula C16H16O3
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C16H16O3/c1-11(17)7-8-13-10-9-12-5-3-4-6-14(12)15(13)16(18)19-2/h3-6,9-10H,7-8H2,1-2H3
InChIKey WGOFIBQKMYYMKN-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Molecular Weight 256.301 g/mol
Reported Formula C16H16O3
SMILES COC(C1=C(C=CC2=C1C=CC=C2)CCC(C)=O)=O
SPLASH splash10-001i-0900000000-ef15ad1f9b184576b5ba
Source of Spectrum QE-24-SM17-3ua (DOI: 10.1002/chem.201800757)
Wiley ID 1900161