| SpectraBase Compound ID | 8nNH1SON7ZI |
|---|---|
| InChI | InChI=1S/C12H10ClNO3/c13-10(15)6-3-7-14-11(16)8-4-1-2-5-9(8)12(14)17/h1-2,4-5H,3,6-7H2 |
| InChIKey | STXHPGKNMJVJKL-UHFFFAOYSA-N |
| Mol Weight | 251.67 g/mol |
| Molecular Formula | C12H10ClNO3 |
| Exact Mass | 251.034921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vSqPsYeC1e |
|---|---|
| Name | 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyryl chloride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.034920883 u |
| Formula | C12H10ClNO3 |
| InChI | InChI=1S/C12H10ClNO3/c13-10(15)6-3-7-14-11(16)8-4-1-2-5-9(8)12(14)17/h1-2,4-5H,3,6-7H2 |
| InChIKey | STXHPGKNMJVJKL-UHFFFAOYSA-N |
| Molecular Weight | 251.669 g/mol |
| SMILES | C1=CC2=C(C(N(C2=O)CCCC(=O)Cl)=O)C=C1 |