![4-(2'-Chloro-3'-methylpentyloxy]-phenyl benzoate](/api/spectrum/Dcw0BbB2D9n/structure.png?h=300&w=458 "4-(2'-Chloro-3'-methylpentyloxy]-phenyl benzoate")
| SpectraBase Compound ID | 6EdwawXYNro |
|---|---|
| InChI | InChI=1S/C19H21ClO3/c1-3-14(2)18(20)13-22-16-9-11-17(12-10-16)23-19(21)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3 |
| InChIKey | IWXKAUHKEZZHBU-UHFFFAOYSA-N |
| Mol Weight | 332.83 g/mol |
| Molecular Formula | C19H21ClO3 |
| Exact Mass | 332.117922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dcw0BbB2D9n |
|---|---|
| Name | 4-(2'-Chloro-3'-methylpentyloxy]-phenyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.117922233 u |
| Formula | C19H21ClO3 |
| InChI | InChI=1S/C19H21ClO3/c1-3-14(2)18(20)13-22-16-9-11-17(12-10-16)23-19(21)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3 |
| InChIKey | IWXKAUHKEZZHBU-UHFFFAOYSA-N |
| Molecular Weight | 332.827 g/mol |
| SMILES | C(OC=1C=CC(OCC(Cl)C(CC)C)=CC1)(=O)C=1C=CC=CC1 |