| SpectraBase Compound ID | ATnG5GKTQID |
|---|---|
| InChI | InChI=1S/C18H25ClO2/c19-12-8-3-1-2-4-9-13-21-18(20)17-14-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17H,1-4,8-9,12-14H2 |
| InChIKey | BIAZODDACMIMPI-UHFFFAOYSA-N |
| Mol Weight | 308.85 g/mol |
| Molecular Formula | C18H25ClO2 |
| Exact Mass | 308.154308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAiuQRV3Jae |
|---|---|
| Name | Cyclopropanecarboxylic acid, trans-2-phenyl-, 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.154307743 u |
| Formula | C18H25ClO2 |
| InChI | InChI=1S/C18H25ClO2/c19-12-8-3-1-2-4-9-13-21-18(20)17-14-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17H,1-4,8-9,12-14H2 |
| InChIKey | BIAZODDACMIMPI-UHFFFAOYSA-N |
| Molecular Weight | 308.849 g/mol |
| SMILES | C1C(C2=CC=CC=C2)C1C(OCCCCCCCCCl)=O |