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Pimelic acid, 2,4-dimethylpent-3-yl isopropyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4-dimethylpent-3-yl isopropyl ester
SpectraBase Compound ID Jia721MqyZG
InChI InChI=1S/C17H32O4/c1-12(2)17(13(3)4)21-16(19)11-9-7-8-10-15(18)20-14(5)6/h12-14,17H,7-11H2,1-6H3
InChIKey QRIMVAGROJXHMQ-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C17H32O4
Exact Mass 300.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rZYn8oZppW
Name Pimelic acid, 2,4-dimethylpent-3-yl isopropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O4
InChI InChI=1S/C17H32O4/c1-12(2)17(13(3)4)21-16(19)11-9-7-8-10-15(18)20-14(5)6/h12-14,17H,7-11H2,1-6H3
InChIKey QRIMVAGROJXHMQ-UHFFFAOYSA-N
Molecular Weight 300.439 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OC(C)C)=O
SPLASH splash10-0006-5900000000-0ba09453df963e0ae4bc
Source of Spectrum TIPS-2022-851-0
Wiley ID 1822368