| SpectraBase Compound ID | BsLhGjhGAGU |
|---|---|
| InChI | InChI=1S/C18H16ClNO3/c1-23-17(22)18(20-16(21)13-5-3-2-4-6-13)11-15(18)12-7-9-14(19)10-8-12/h2-10,15H,11H2,1H3,(H,20,21) |
| InChIKey | VRSRHNKAUPVNFN-UHFFFAOYSA-N |
| Mol Weight | 329.78 g/mol |
| Molecular Formula | C18H16ClNO3 |
| Exact Mass | 329.081871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpyCFUA235N |
|---|---|
| Name | 1-Benzamido-2-(p-chlorophenyl)cyclopropanecarboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.081871076 u |
| Formula | C18H16ClNO3 |
| InChI | InChI=1S/C18H16ClNO3/c1-23-17(22)18(20-16(21)13-5-3-2-4-6-13)11-15(18)12-7-9-14(19)10-8-12/h2-10,15H,11H2,1H3,(H,20,21) |
| InChIKey | VRSRHNKAUPVNFN-UHFFFAOYSA-N |
| SMILES | N(C1(CC1C1=CC=C(C=C1)Cl)C(OC)=O)C(C=1C=CC=CC1)=O |