| SpectraBase Compound ID | FN0rVRcvXoB |
|---|---|
| InChI | InChI=1S/C18H19ClO2/c1-3-4-5-14-6-8-15(9-7-14)18(20)21-17-11-10-16(19)12-13(17)2/h6-12H,3-5H2,1-2H3 |
| InChIKey | KTLWBNSGBCFFAA-UHFFFAOYSA-N |
| Mol Weight | 302.8 g/mol |
| Molecular Formula | C18H19ClO2 |
| Exact Mass | 302.107358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8riXtpVCCn |
|---|---|
| Name | 4-Butylbenzoic acid, 4-chloro-2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.107357550 u |
| Formula | C18H19ClO2 |
| InChI | InChI=1S/C18H19ClO2/c1-3-4-5-14-6-8-15(9-7-14)18(20)21-17-11-10-16(19)12-13(17)2/h6-12H,3-5H2,1-2H3 |
| InChIKey | KTLWBNSGBCFFAA-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)CCCC)(OC1=CC=C(C=C1C)Cl)=O |