| SpectraBase Compound ID | 7lBFbFxC647 |
|---|---|
| InChI | InChI=1S/C15H21ClO2/c1-2-3-4-5-6-11-18-15(17)12-13-7-9-14(16)10-8-13/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | PASLQPGQXAOSNK-UHFFFAOYSA-N |
| Mol Weight | 268.78 g/mol |
| Molecular Formula | C15H21ClO2 |
| Exact Mass | 268.123008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LVfgWOqItYL |
|---|---|
| Name | Phenylacetic acid, 4-chloro-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.123007614 u |
| Formula | C15H21ClO2 |
| InChI | InChI=1S/C15H21ClO2/c1-2-3-4-5-6-11-18-15(17)12-13-7-9-14(16)10-8-13/h7-10H,2-6,11-12H2,1H3 |
| InChIKey | PASLQPGQXAOSNK-UHFFFAOYSA-N |
| SMILES | C(OCCCCCCC)(CC1=CC=C(C=C1)Cl)=O |