SpectraBase Compound ID | 2YoOEXZPAPh |
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InChI | InChI=1S/C29H56O4/c1-5-9-11-13-15-16-17-18-20-22-24-26-33-28(31)29(7-3,8-4)27(30)32-25-23-21-19-14-12-10-6-2/h5-26H2,1-4H3 |
InChIKey | TWRNJVAJAZVDJQ-UHFFFAOYSA-N |
Mol Weight | 468.8 g/mol |
Molecular Formula | C29H56O4 |
Exact Mass | 468.41786 g/mol |
SpectraBase Spectrum ID | Er5yzLimsOW |
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Name | Diethylmalonic acid, nonyl tridecyl 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/c1-5-9-11-13-15-16-17-18-20-22-24-26-33-28(31)29(7-3,8-4)27(30)32-25-23-21-19-14-12-10-6-2/h5-26H2,1-4H3 |
InChIKey | TWRNJVAJAZVDJQ-UHFFFAOYSA-N |
Molecular Weight | 468.763 g/mol |
SMILES | CCC(C(OCCCCCCCCCCCCC)=O)(C(OCCCCCCCCC)=O)CC |