| SpectraBase Compound ID | 5j4L083979E |
|---|---|
| InChI | InChI=1S/C36H40N2O6/c39-33(37-17-5-1-6-18-37)16-13-28-27(10-4-3-9-25-11-14-29-31(21-25)43-23-41-29)35(36(40)38-19-7-2-8-20-38)34(28)26-12-15-30-32(22-26)44-24-42-30/h3-4,9-16,21-22,27-28,34-35H,1-2,5-8,17-20,23-24H2/b9-3+,10-4+,16-13-/t27-,28+,34+,35-/m0/s1 |
| InChIKey | QFSZYBIYCZLMMS-YOWQHCJLSA-N |
| Mol Weight | 596.7 g/mol |
| Molecular Formula | C36H40N2O6 |
| Exact Mass | 596.288637 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7TkoCu6qmeo |
|---|---|
| Name | Pipercyclobutanamide B |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H40N2O6 |
| InChI | InChI=1S/C36H40N2O6/c39-33(37-17-5-1-6-18-37)16-13-28-27(10-4-3-9-25-11-14-29-31(21-25)43-23-41-29)35(36(40)38-19-7-2-8-20-38)34(28)26-12-15-30-32(22-26)44-24-42-30/h3-4,9-16,21-22,27-28,34-35H,1-2,5-8,17-20,23-24H2/b9-3+,10-4+,16-13-/t27-,28+,34+,35-/m0/s1 |
| InChIKey | QFSZYBIYCZLMMS-YOWQHCJLSA-N |
| Molecular Weight | 596.724 g/mol |
| SMILES | [C@@]1([C@@](c2cc3c(OCO3)cc2)([H])[C@@]([C@@]1(\C=C\C=C\c1cc2OCOc2cc1)[H])(\C=C/C(N1CCCCC1)=O)[H])(C(N1CCCCC1)=O)[H] |
| SPLASH | splash10-03di-3947020000-35e10d4c89e840c7ec9b |
| Source of Spectrum | AT-42-2499-2 |
| Wiley ID | 855067 |