SpectraBase Compound ID | G8TuTWaTNQs |
---|---|
InChI | InChI=1S/C26H50O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-31-26(28)24-29-23-25(27)30-21-19-8-6-4-2/h3-24H2,1-2H3 |
InChIKey | SQVFHCGHKYHCSN-UHFFFAOYSA-N |
Mol Weight | 442.7 g/mol |
Molecular Formula | C26H50O5 |
Exact Mass | 442.365825 g/mol |
SpectraBase Spectrum ID | WjzS2jtPLN |
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Name | Diglycolic acid, hexadecyl hexyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 442.365824705 u |
Formula | C26H50O5 |
InChI | InChI=1S/C26H50O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-31-26(28)24-29-23-25(27)30-21-19-8-6-4-2/h3-24H2,1-2H3 |
InChIKey | SQVFHCGHKYHCSN-UHFFFAOYSA-N |
Molecular Weight | 442.681 g/mol |
SMILES | C(COCC(=O)OCCCCCCCCCCCCCCCC)(=O)OCCCCCC |