| SpectraBase Compound ID | LHDtBnzZX3Z |
|---|---|
| InChI | InChI=1S/C16H18ClNO2/c1-11-14(8-9-17)12(2)18-15(11)16(19)20-10-13-6-4-3-5-7-13/h3-7,18H,8-10H2,1-2H3 |
| InChIKey | OBDAMAVRRAQOBP-UHFFFAOYSA-N |
| Mol Weight | 291.78 g/mol |
| Molecular Formula | C16H18ClNO2 |
| Exact Mass | 291.102607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DP7URwKt9nj |
|---|---|
| Name | (Phenylmethyl) 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.102606522 u |
| Formula | C16H18ClNO2 |
| InChI | InChI=1S/C16H18ClNO2/c1-11-14(8-9-17)12(2)18-15(11)16(19)20-10-13-6-4-3-5-7-13/h3-7,18H,8-10H2,1-2H3 |
| InChIKey | OBDAMAVRRAQOBP-UHFFFAOYSA-N |
| SMILES | C=1(NC(C)=C(C1C)CCCl)C(OCC=1C=CC=CC1)=O |