| SpectraBase Compound ID | AkJsJhUcj2s |
|---|---|
| InChI | InChI=1S/C38H33NO5/c40-36(41)35(39-37(42)43-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34)24-25-44-38(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,34-35H,24-26H2,(H,39,42)(H,40,41)/t35-/m0/s1 |
| InChIKey | QUTREFXHXPNEJN-DHUJRADRSA-N |
| Mol Weight | 583.7 g/mol |
| Molecular Formula | C38H33NO5 |
| Exact Mass | 583.235873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJmrN9jPes9 |
|---|---|
| Name | Fmoc-hse(trt)-oh |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 583.235873162 u |
| Formula | C38H33NO5 |
| InChI | InChI=1S/C38H33NO5/c40-36(41)35(39-37(42)43-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34)24-25-44-38(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,34-35H,24-26H2,(H,39,42)(H,40,41)/t35-/m0/s1 |
| InChIKey | QUTREFXHXPNEJN-DHUJRADRSA-N |
| Molecular Weight | 583.684 g/mol |
| SMILES | N([C@](C(O)=O)(CCOC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)[H])C(OCC1C=2C=CC=CC2C=2C=CC=CC12)=O |