SpectraBase Compound ID | 9mEOphIgGk9 |
---|---|
InChI | InChI=1S/C18H26O5/c1-6-18(7-2,16(19)22-12-13(3)4)17(20)23-15-10-8-9-14(11-15)21-5/h8-11,13H,6-7,12H2,1-5H3 |
InChIKey | IWYLHMKCPCZBRC-UHFFFAOYSA-N |
Mol Weight | 322.4 g/mol |
Molecular Formula | C18H26O5 |
Exact Mass | 322.178024 g/mol |
SpectraBase Spectrum ID | ImUtIDnpjtB |
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Name | Diethylmalonic acid, isobutyl 3-methoxyphenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 322.178023932 u |
Formula | C18H26O5 |
InChI | InChI=1S/C18H26O5/c1-6-18(7-2,16(19)22-12-13(3)4)17(20)23-15-10-8-9-14(11-15)21-5/h8-11,13H,6-7,12H2,1-5H3 |
InChIKey | IWYLHMKCPCZBRC-UHFFFAOYSA-N |
Molecular Weight | 322.401 g/mol |
SMILES | C(C(C(OCC(C)C)=O)(CC)CC)(OC1=CC(OC)=CC=C1)=O |