SpectraBase Compound ID | J6IrCphvclM |
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InChI | InChI=1S/C22H34O4/c1-4-6-8-9-11-16-25-21(23)19-14-12-15-20(17-19)22(24)26-18(3)13-10-7-5-2/h12,14-15,17-18H,4-11,13,16H2,1-3H3 |
InChIKey | HYKNYKMXORWRKB-UHFFFAOYSA-N |
Mol Weight | 362.5 g/mol |
Molecular Formula | C22H34O4 |
Exact Mass | 362.24571 g/mol |
SpectraBase Spectrum ID | F3BELmBL7PL |
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Name | Isophthalic acid, hept-2-yl heptyl 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/c1-4-6-8-9-11-16-25-21(23)19-14-12-15-20(17-19)22(24)26-18(3)13-10-7-5-2/h12,14-15,17-18H,4-11,13,16H2,1-3H3 |
InChIKey | HYKNYKMXORWRKB-UHFFFAOYSA-N |
Molecular Weight | 362.510 g/mol |
SMILES | C1=C(C=C(C=C1)C(OC(C)CCCCC)=O)C(=O)OCCCCCCC |