SpectraBase Compound ID | BhBbQEgliCn |
---|---|
InChI | InChI=1S/C22H32O4/c1-2-3-4-7-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18-13-8-5-6-9-14-18/h10-11,15-16,18H,2-9,12-14,17H2,1H3 |
InChIKey | GKFURZFUDNZUFC-UHFFFAOYSA-N |
Mol Weight | 360.5 g/mol |
Molecular Formula | C22H32O4 |
Exact Mass | 360.23006 g/mol |
SpectraBase Spectrum ID | CEhUj7uTTWg |
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Name | Phthalic acid, cycloheptyl heptyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 360.230059506 u |
Formula | C22H32O4 |
InChI | InChI=1S/C22H32O4/c1-2-3-4-7-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18-13-8-5-6-9-14-18/h10-11,15-16,18H,2-9,12-14,17H2,1H3 |
InChIKey | GKFURZFUDNZUFC-UHFFFAOYSA-N |
Molecular Weight | 360.494 g/mol |
SMILES | C(C1=C(C=CC=C1)C(OC1CCCCCC1)=O)(OCCCCCCC)=O |