| SpectraBase Compound ID | LRrvGpczZDr |
|---|---|
| InChI | InChI=1S/C10H10.C8H8.C7H7Cl/c1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7/h3-8H,1-2H2;2-7H,1H2;1-5H,6H2 |
| InChIKey | XGDRSIHUZXJSHS-UHFFFAOYSA-N |
| Mol Weight | 360.93 g/mol |
| Molecular Formula | C25H25Cl |
| Exact Mass | 360.164479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GiYdfmDL4cU |
|---|---|
| Name | Merrifield'S peptide resin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.164478505 u |
| Formula | C25H25Cl |
| InChI | InChI=1S/C10H10.C8H8.C7H7Cl/c1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7/h3-8H,1-2H2;2-7H,1H2;1-5H,6H2 |
| InChIKey | XGDRSIHUZXJSHS-UHFFFAOYSA-N |
| Molecular Weight | 360.928 g/mol |
| SMILES | C(Cl)C1=CC=CC=C1.C(=C)C1=CC=C(C=C1)C=C.C(=C)C1=CC=CC=C1 |