SpectraBase Compound ID | 4HkrYDp0a7T |
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InChI | InChI=1S/C23H42O5/c1-2-3-4-5-10-13-18-27-22(24)16-11-8-6-7-9-12-17-23(25)28-20-21-15-14-19-26-21/h21H,2-20H2,1H3 |
InChIKey | WIFJXWUISPPFCB-UHFFFAOYSA-N |
Mol Weight | 398.6 g/mol |
Molecular Formula | C23H42O5 |
Exact Mass | 398.303224 g/mol |
SpectraBase Spectrum ID | 2TWcqbE5D4M |
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Name | Sebacic acid, tetrahydrofurfuryl octyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 398.303224447 u |
Formula | C23H42O5 |
InChI | InChI=1S/C23H42O5/c1-2-3-4-5-10-13-18-27-22(24)16-11-8-6-7-9-12-17-23(25)28-20-21-15-14-19-26-21/h21H,2-20H2,1H3 |
InChIKey | WIFJXWUISPPFCB-UHFFFAOYSA-N |
Molecular Weight | 398.584 g/mol |
SMILES | C1(CCCO1)COC(CCCCCCCCC(OCCCCCCCC)=O)=O |