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Levulinic acid, methyl ester
SpectraBase Compound ID DQVjKEjqbGZ
InChI InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
InChIKey UAGJVSRUFNSIHR-UHFFFAOYSA-N
Mol Weight 130.14 g/mol
Molecular Formula C6H10O3
Exact Mass 130.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2886mXjBfIK
Name Methyl levulinate
Carrier Gas (25 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O3
GC Column HP-5 (30 m x 320 micrometer, film thickness 0.25 micrometer)
GC Oven Program Oven temp 325oC
InChI InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
InChIKey UAGJVSRUFNSIHR-UHFFFAOYSA-N
Inlet Type Split (10:1)
Instrument Name GCMS
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/cssc.202202353
Quality 735
SMILES CC(=O)CCC(OC)=O
SPLASH splash10-052f-9100000000-c74abc86de1ca0d731c5
Source of Spectrum CSC-16-SM10-ML (DOI: 10.1002/cssc.202202353)
Wiley ID 1910349