SpectraBase Compound ID | 9R2yPqLnPQN |
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InChI | InChI=1S/C23H44O4/c1-6-7-8-13-16-19-26-21(24)17-14-11-9-10-12-15-18-22(25)27-20(2)23(3,4)5/h20H,6-19H2,1-5H3 |
InChIKey | RCEQHCVMPYSOCU-UHFFFAOYSA-N |
Mol Weight | 384.6 g/mol |
Molecular Formula | C23H44O4 |
Exact Mass | 384.32396 g/mol |
SpectraBase Spectrum ID | I1ldVNGOwbZ |
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Name | Sebacic acid, 3,3-dimethylbut-2-yl heptyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 384.323959893 u |
Formula | C23H44O4 |
InChI | InChI=1S/C23H44O4/c1-6-7-8-13-16-19-26-21(24)17-14-11-9-10-12-15-18-22(25)27-20(2)23(3,4)5/h20H,6-19H2,1-5H3 |
InChIKey | RCEQHCVMPYSOCU-UHFFFAOYSA-N |
Molecular Weight | 384.601 g/mol |
SMILES | C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCCCCCC)=O |