SpectraBase Compound ID | DSAt5XU8zxc |
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InChI | InChI=1S/C27H52O4/c1-3-5-7-9-11-12-14-16-21-25-31-27(29)23-19-17-18-22-26(28)30-24-20-15-13-10-8-6-4-2/h3-25H2,1-2H3 |
InChIKey | SFVVMRTXVZQTCX-UHFFFAOYSA-N |
Mol Weight | 440.7 g/mol |
Molecular Formula | C27H52O4 |
Exact Mass | 440.38656 g/mol |
SpectraBase Spectrum ID | 6rN0AH1n7BW |
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Name | Pimelic acid, nonyl undecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 440.386560150 u |
Formula | C27H52O4 |
InChI | InChI=1S/C27H52O4/c1-3-5-7-9-11-12-14-16-21-25-31-27(29)23-19-17-18-22-26(28)30-24-20-15-13-10-8-6-4-2/h3-25H2,1-2H3 |
InChIKey | SFVVMRTXVZQTCX-UHFFFAOYSA-N |
Molecular Weight | 440.709 g/mol |
SMILES | C(CCCCCOC(=O)CCCCCC(OCCCCCCCCCCC)=O)CCC |