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2-Furanacetic acid, tetrahydro-3-methyl-5-oxo-, methyl ester
SpectraBase Compound ID XN5ux8HGdJ
InChI InChI=1S/C8H12O4/c1-5-3-8(10)12-6(5)4-7(9)11-2/h5-6H,3-4H2,1-2H3
InChIKey CMMVSUYSICVYIU-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPZSun8PbVX
Name 2-Furanacetic acid, tetrahydro-3-methyl-5-oxo-, methyl ester
Alternate Name(s) 5-Methoxycarbonyl-hexan-4-olide Methyl (3-methyl-5-oxotetrahydro-2-furanyl)acetate
CAS Registry Number 71126-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-5-3-8(10)12-6(5)4-7(9)11-2/h5-6H,3-4H2,1-2H3
InChIKey CMMVSUYSICVYIU-UHFFFAOYSA-N
Molecular Weight 172.180 g/mol
SMILES C1(OC(C(C1)C)CC(=O)OC)=O
SPLASH splash10-000i-9000000000-401b4c3a01a613a3b386
Source of Spectrum H-66-112-0
Wiley ID 1168454