| SpectraBase Compound ID | Hf54Wdza8Yg |
|---|---|
| InChI | InChI=1S/C19H22I2N2/c1-15-12-22(13-16-4-2-6-18(20)10-16)8-9-23(15)14-17-5-3-7-19(21)11-17/h2-7,10-11,15H,8-9,12-14H2,1H3 |
| InChIKey | OMZMZNDGJUOCSP-UHFFFAOYSA-N |
| Mol Weight | 532.21 g/mol |
| Molecular Formula | C19H22I2N2 |
| Exact Mass | 531.987239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LlHqcrSnoPN |
|---|---|
| Name | 1,4-di-(3-Iodobenzyl)-2-methylpiperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 531.987238716 u |
| Formula | C19H22I2N2 |
| InChI | InChI=1S/C19H22I2N2/c1-15-12-22(13-16-4-2-6-18(20)10-16)8-9-23(15)14-17-5-3-7-19(21)11-17/h2-7,10-11,15H,8-9,12-14H2,1H3 |
| InChIKey | OMZMZNDGJUOCSP-UHFFFAOYSA-N |
| Molecular Weight | 532.208 g/mol |
| SMILES | C1(N(CCN(C1)CC=1C=C(C=CC1)I)CC=1C=C(C=CC1)I)C |