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Pimelic acid, hex-3-yl 4-methylpent-2-yl ester
SpectraBase Compound ID KDB2yyMBDgB
InChI InChI=1S/C19H36O4/c1-6-11-17(7-2)23-19(21)13-10-8-9-12-18(20)22-16(5)14-15(3)4/h15-17H,6-14H2,1-5H3
InChIKey YYAOYNJOOWWSDF-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C19H36O4
Exact Mass 328.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KitRCqS0EN
Name Pimelic acid, hex-3-yl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O4
InChI InChI=1S/C19H36O4/c1-6-11-17(7-2)23-19(21)13-10-8-9-12-18(20)22-16(5)14-15(3)4/h15-17H,6-14H2,1-5H3
InChIKey YYAOYNJOOWWSDF-UHFFFAOYSA-N
Molecular Weight 328.493 g/mol
SMILES C(CCCCCC(OC(CCC)CC)=O)(OC(CC(C)C)C)=O
SPLASH splash10-0006-6900000000-3c54918d7b6d6daf5646
Source of Spectrum TIPS-2022-959-0
Wiley ID 1822476