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Diglycolic acid, decyl 2,5-dimethylphenyl ester

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Diglycolic acid, decyl 2,5-dimethylphenyl ester
SpectraBase Compound ID BdnFvlFi65F
InChI InChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-14-26-21(23)16-25-17-22(24)27-20-15-18(2)12-13-19(20)3/h12-13,15H,4-11,14,16-17H2,1-3H3
InChIKey YBBXWOSIJWOQMD-UHFFFAOYSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVssiv1nIBj
Name Diglycolic acid, decyl 2,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.240624190 u
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-14-26-21(23)16-25-17-22(24)27-20-15-18(2)12-13-19(20)3/h12-13,15H,4-11,14,16-17H2,1-3H3
InChIKey YBBXWOSIJWOQMD-UHFFFAOYSA-N
Molecular Weight 378.509 g/mol
SMILES C(COCC(=O)OCCCCCCCCCC)(=O)OC1=C(C=CC(=C1)C)C