| SpectraBase Compound ID | BfDesD63Yuu |
|---|---|
| InChI | InChI=1S/C15H20ClNO3/c1-11(2)10-20-15(19)9-5-8-14(18)17-13-7-4-3-6-12(13)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18) |
| InChIKey | KRZVEIXMQHAQPC-UHFFFAOYSA-N |
| Mol Weight | 297.78 g/mol |
| Molecular Formula | C15H20ClNO3 |
| Exact Mass | 297.113171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFVENdJ9QNm |
|---|---|
| Name | Glutaric acid, monoamide, N-(2-chlorophenyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.113171205 u |
| Formula | C15H20ClNO3 |
| InChI | InChI=1S/C15H20ClNO3/c1-11(2)10-20-15(19)9-5-8-14(18)17-13-7-4-3-6-12(13)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18) |
| InChIKey | KRZVEIXMQHAQPC-UHFFFAOYSA-N |
| Molecular Weight | 297.782 g/mol |
| SMILES | C1=CC=C(C(=C1)NC(CCCC(OCC(C)C)=O)=O)Cl |