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Dimethyl heptadecanedioate
SpectraBase Compound ID 3xsPmMwstmS
InChI InChI=1S/C19H36O4/c1-22-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)23-2/h3-17H2,1-2H3
InChIKey YIZQYNRKVWQMJO-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C19H36O4
Exact Mass 328.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmQUnHvFDeN
Name Dimethyl heptadecanedioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.261359635 u
Formula C19H36O4
InChI InChI=1S/C19H36O4/c1-22-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)23-2/h3-17H2,1-2H3
InChIKey YIZQYNRKVWQMJO-UHFFFAOYSA-N
Molecular Weight 328.493 g/mol
SMILES C(CCCCCCCCCCCCCC(=O)OC)CC(OC)=O