| SpectraBase Compound ID | Dg4HCS3PFut |
|---|---|
| InChI | InChI=1S/C12H13N3O/c16-12-6-3-7-15(12)8-11-13-9-4-1-2-5-10(9)14-11/h1-2,4-5H,3,6-8H2,(H,13,14) |
| InChIKey | ZZUUVVQEHKIMRA-UHFFFAOYSA-N |
| Mol Weight | 215.26 g/mol |
| Molecular Formula | C12H13N3O |
| Exact Mass | 215.105862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEMP4I5hEGn |
|---|---|
| Name | 2-Pyrrolidinone, 1-(1H-benzimidazol-2-ylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.105862050 u |
| Formula | C12H13N3O |
| InChI | InChI=1S/C12H13N3O/c16-12-6-3-7-15(12)8-11-13-9-4-1-2-5-10(9)14-11/h1-2,4-5H,3,6-8H2,(H,13,14) |
| InChIKey | ZZUUVVQEHKIMRA-UHFFFAOYSA-N |
| Molecular Weight | 215.256 g/mol |
| SMILES | C1(=NC=2C=CC=CC2N1)CN1C(=O)CCC1 |