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Pimelic acid, 2,3-dimethylphenyl 4-methylpent-2-yl ester
SpectraBase Compound ID 8iTIYBfyU0g
InChI InChI=1S/C21H32O4/c1-15(2)14-17(4)24-20(22)12-7-6-8-13-21(23)25-19-11-9-10-16(3)18(19)5/h9-11,15,17H,6-8,12-14H2,1-5H3
InChIKey UDPQSVRAVQGLKG-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuyHmMRvQfg
Name Pimelic acid, 2,3-dimethylphenyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-15(2)14-17(4)24-20(22)12-7-6-8-13-21(23)25-19-11-9-10-16(3)18(19)5/h9-11,15,17H,6-8,12-14H2,1-5H3
InChIKey UDPQSVRAVQGLKG-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C(CCCCCC(Oc1cccc(c1C)C)=O)(OC(CC(C)C)C)=O
SPLASH splash10-00dl-5910000000-043e8940616fb0c44927
Source of Spectrum TIPS-2022-474-0
Wiley ID 1821991