| SpectraBase Compound ID | LO4iZAratIR |
|---|---|
| InChI | InChI=1S/C16H17BrN2O2/c17-15-7-6-14(21-15)16(20)19-10-8-18(9-11-19)12-13-4-2-1-3-5-13/h1-7H,8-12H2 |
| InChIKey | CODLSMTWPUTXME-UHFFFAOYSA-N |
| Mol Weight | 349.23 g/mol |
| Molecular Formula | C16H17BrN2O2 |
| Exact Mass | 348.047341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuNs2n1HZKB |
|---|---|
| Name | Piperazine, 1-benzyl-4-(5-bromofuro-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.047340793 u |
| Formula | C16H17BrN2O2 |
| InChI | InChI=1S/C16H17BrN2O2/c17-15-7-6-14(21-15)16(20)19-10-8-18(9-11-19)12-13-4-2-1-3-5-13/h1-7H,8-12H2 |
| InChIKey | CODLSMTWPUTXME-UHFFFAOYSA-N |
| Molecular Weight | 349.228 g/mol |
| SMILES | C=1(C(N2CCN(CC3=CC=CC=C3)CC2)=O)OC(Br)=CC1 |