SpectraBase Compound ID | GWfDrevbFt2 |
---|---|
InChI | InChI=1S/C29H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-32-28(30)22-19-18-20-23-29(31)33-26-24-27(2)3/h27H,4-26H2,1-3H3 |
InChIKey | GUPJRJNBPBEVHK-UHFFFAOYSA-N |
Mol Weight | 468.8 g/mol |
Molecular Formula | C29H56O4 |
Exact Mass | 468.41786 g/mol |
SpectraBase Spectrum ID | DKwm4BW31kV |
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Name | Pimelic acid, heptadecyl 3-methylbutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 468.417860279 u |
Formula | C29H56O4 |
InChI | InChI=1S/C29H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-32-28(30)22-19-18-20-23-29(31)33-26-24-27(2)3/h27H,4-26H2,1-3H3 |
InChIKey | GUPJRJNBPBEVHK-UHFFFAOYSA-N |
Molecular Weight | 468.763 g/mol |
SMILES | C(OCCC(C)C)(=O)CCCCCC(OCCCCCCCCCCCCCCCCC)=O |