SpectraBase Compound ID | 6Zu6e9iHIrL |
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InChI | InChI=1S/C31H60O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-29-35-31(33)27-24-21-18-17-20-23-26-30(32)34-28-4-2/h3-29H2,1-2H3 |
InChIKey | AEJCMXFUVOIVRI-UHFFFAOYSA-N |
Mol Weight | 496.8 g/mol |
Molecular Formula | C31H60O4 |
Exact Mass | 496.44916 g/mol |
SpectraBase Spectrum ID | L86OxSd1YLT |
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Name | Sebacic acid, octadecyl propyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 496.449160408 u |
Formula | C31H60O4 |
InChI | InChI=1S/C31H60O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-29-35-31(33)27-24-21-18-17-20-23-26-30(32)34-28-4-2/h3-29H2,1-2H3 |
InChIKey | AEJCMXFUVOIVRI-UHFFFAOYSA-N |
Molecular Weight | 496.817 g/mol |
SMILES | C(CCCCCC(OCCCCCCCCCCCCCCCCCC)=O)CCC(OCCC)=O |