SpectraBase Compound ID | Lt2A4NhWnhR |
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InChI | InChI=1S/C29H56O4/c1-4-7-8-9-10-11-14-17-20-25-32-28(30)23-18-15-12-13-16-19-24-29(31)33-26-27(21-5-2)22-6-3/h27H,4-26H2,1-3H3 |
InChIKey | YUZZYKCCHXFSOZ-UHFFFAOYSA-N |
Mol Weight | 468.8 g/mol |
Molecular Formula | C29H56O4 |
Exact Mass | 468.41786 g/mol |
SpectraBase Spectrum ID | Be0D7aIUTxU |
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Name | Sebacic acid, 2-propylpentyl undecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 468.417860279 u |
Formula | C29H56O4 |
InChI | InChI=1S/C29H56O4/c1-4-7-8-9-10-11-14-17-20-25-32-28(30)23-18-15-12-13-16-19-24-29(31)33-26-27(21-5-2)22-6-3/h27H,4-26H2,1-3H3 |
InChIKey | YUZZYKCCHXFSOZ-UHFFFAOYSA-N |
Molecular Weight | 468.763 g/mol |
SMILES | C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCCCCCCCCCCC)=O |