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Propanoic acid, 1-methylethyl ester
SpectraBase Compound ID 5PSUfH2qPbv
InChI InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
InChIKey IJMWOMHMDSDKGK-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K71zpqzdjAO
Name Propanoic acid, 1-methylethyl ester
Alternate Name(s) Propionic acid, isopropyl ester 1-Methylethyl propanoate C2H5C(O)OCH(CH3)2 iso-Propyl n-propionate iso-Propyl propanoate Isopropyl ester of propanoic acid Propan-2-yl propanoate Propanoic acid propan-2-yl ester Propionic acid isopropyl ester Isopropyl propanoate EINECS 211-300-8 FEMA NO. 2959 UN2409
CAS Registry Number 637-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
InChIKey IJMWOMHMDSDKGK-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
SMILES CCC(=O)OC(C)C
SPLASH splash10-056u-9000000000-7e6cc5ae45ea477dffb8
Source of Spectrum AA-0-427-4
Wiley ID 3500