SpectraBase Compound ID | 7LQKtkp2L1c |
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InChI | InChI=1S/C28H54O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-25-31-27(29)23-20-24-28(30)32-26(21-5-2)22-6-3/h26H,4-25H2,1-3H3 |
InChIKey | DCOPWLJSLRJBKT-UHFFFAOYSA-N |
Mol Weight | 454.7 g/mol |
Molecular Formula | C28H54O4 |
Exact Mass | 454.40221 g/mol |
SpectraBase Spectrum ID | Iuqqf3HUsLq |
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Name | Glutaric acid, 4-heptyl hexadecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 454.402210215 u |
Formula | C28H54O4 |
InChI | InChI=1S/C28H54O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-25-31-27(29)23-20-24-28(30)32-26(21-5-2)22-6-3/h26H,4-25H2,1-3H3 |
InChIKey | DCOPWLJSLRJBKT-UHFFFAOYSA-N |
Molecular Weight | 454.736 g/mol |
SMILES | CCCC(OC(CCCC(OCCCCCCCCCCCCCCCC)=O)=O)CCC |