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CH3OC(O)CH2CH2C(O)C2H5

View entire compound with spectra: 1 NMR, and 2 MS (GC)

CH3OC(O)CH2CH2C(O)C2H5
SpectraBase Compound ID 8neOoUu6FTo
InChI InChI=1S/C7H12O3/c1-3-6(8)4-5-7(9)10-2/h3-5H2,1-2H3
InChIKey FOGHPENQGFYWSI-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bi6YLTTE807
Name Hexanoic acid, 4-oxo-, methyl ester
Alternate Name(s) 4-ketohexanoic acid methyl ester 4-Oxohexanoic acid methyl ester Methyl 4-oxidanylidenehexanoate Methyl 4-oxohexanoate Methyl homolevulinate
CAS Registry Number 2955-62-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-3-6(8)4-5-7(9)10-2/h3-5H2,1-2H3
InChIKey FOGHPENQGFYWSI-UHFFFAOYSA-N
Molecular Weight 144.170 g/mol
SMILES C(C(CC)=O)CC(OC)=O
SPLASH splash10-05r0-9100000000-478d35bf327bf47148a9
Source of Spectrum T-67-757-0
Wiley ID 8616