| SpectraBase Compound ID | D4PSJwgjE0W |
|---|---|
| InChI | InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)25-24-35(37(43)44)40-38(45)46-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t35-/m0/s1 |
| InChIKey | WDGICUODAOGOMO-DHUJRADRSA-N |
| Mol Weight | 610.7 g/mol |
| Molecular Formula | C39H34N2O5 |
| Exact Mass | 610.246772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7op2iel4RUS |
|---|---|
| Name | Fmoc-gln(trt)-oh |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 610.246772198 u |
| Formula | C39H34N2O5 |
| InChI | InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)25-24-35(37(43)44)40-38(45)46-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t35-/m0/s1 |
| InChIKey | WDGICUODAOGOMO-DHUJRADRSA-N |
| Molecular Weight | 610.710 g/mol |
| SMILES | N(C(CC[C@@](C(O)=O)(NC(OCC1C=2C=CC=CC2C=2C=CC=CC12)=O)[H])=O)C(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1 |