SpectraBase Compound ID | K4jKGQJ2ddr |
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InChI | InChI=1S/C18H26O5/c1-5-8-13-22-16(19)18(6-2,7-3)17(20)23-15-11-9-14(21-4)10-12-15/h9-12H,5-8,13H2,1-4H3 |
InChIKey | IPSSYSGCYMWQMS-UHFFFAOYSA-N |
Mol Weight | 322.4 g/mol |
Molecular Formula | C18H26O5 |
Exact Mass | 322.178024 g/mol |
SpectraBase Spectrum ID | FePOvCBKkOQ |
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Name | Diethylmalonic acid, butyl 4-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/c1-5-8-13-22-16(19)18(6-2,7-3)17(20)23-15-11-9-14(21-4)10-12-15/h9-12H,5-8,13H2,1-4H3 |
InChIKey | IPSSYSGCYMWQMS-UHFFFAOYSA-N |
Molecular Weight | 322.401 g/mol |
SMILES | CCC(C(OCCCC)=O)(C(OC1=CC=C(C=C1)OC)=O)CC |