SpectraBase Compound ID | EVadNVypOBo |
---|---|
InChI | InChI=1S/C22H34O4/c1-2-3-4-14-19-25-21(23)17-12-7-5-6-8-13-18-22(24)26-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3 |
InChIKey | WODRRBVYDRCQRN-UHFFFAOYSA-N |
Mol Weight | 362.5 g/mol |
Molecular Formula | C22H34O4 |
Exact Mass | 362.24571 g/mol |
SpectraBase Spectrum ID | 3kSJ2J6sBEE |
---|---|
Name | Sebacic acid, hexyl phenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 362.245709571 u |
Formula | C22H34O4 |
InChI | InChI=1S/C22H34O4/c1-2-3-4-14-19-25-21(23)17-12-7-5-6-8-13-18-22(24)26-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3 |
InChIKey | WODRRBVYDRCQRN-UHFFFAOYSA-N |
Molecular Weight | 362.510 g/mol |
SMILES | C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCCCC)=O |