SpectraBase Compound ID | 3mJk7ehl0Tb |
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InChI | InChI=1S/C21H40O5/c1-4-5-16-25-20(22)12-10-8-6-7-9-11-13-21(23)26-18-15-19(2)14-17-24-3/h19H,4-18H2,1-3H3 |
InChIKey | VVVRUCMJQKTYSF-UHFFFAOYSA-N |
Mol Weight | 372.5 g/mol |
Molecular Formula | C21H40O5 |
Exact Mass | 372.287574 g/mol |
SpectraBase Spectrum ID | 5bvVcZXshjt |
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Name | Sebacic acid, butyl 5-methoxy-3-methylpentyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 372.287574383 u |
Formula | C21H40O5 |
InChI | InChI=1S/C21H40O5/c1-4-5-16-25-20(22)12-10-8-6-7-9-11-13-21(23)26-18-15-19(2)14-17-24-3/h19H,4-18H2,1-3H3 |
InChIKey | VVVRUCMJQKTYSF-UHFFFAOYSA-N |
Molecular Weight | 372.546 g/mol |
SMILES | C(CCCCCCCCC(OCCCC)=O)(OCCC(C)CCOC)=O |