| SpectraBase Compound ID | 5gB9eWUcvli |
|---|---|
| InChI | InChI=1S/C43H48N4O8/c1-27-14-9-7-6-8-10-19-46(24-27)20-13-21-47-25-36(34-22-38(52-28(2)48)42(54-30(4)50)40-32(34)15-11-17-44-40)37(26-47)35-23-39(53-29(3)49)43(55-31(5)51)41-33(35)16-12-18-45-41/h11-12,15-18,22-23,25-27H,6-10,13-14,19-21,24H2,1-5H3 |
| InChIKey | KZFPXRRJXMRKMJ-UHFFFAOYSA-N |
| Mol Weight | 748.9 g/mol |
| Molecular Formula | C43H48N4O8 |
| Exact Mass | 748.347215 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7BuWa35iqGq |
|---|---|
| Name | Halitulin tetra-acetate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H48N4O8 |
| InChI | InChI=1S/C43H48N4O8/c1-27-14-9-7-6-8-10-19-46(24-27)20-13-21-47-25-36(34-22-38(52-28(2)48)42(54-30(4)50)40-32(34)15-11-17-44-40)37(26-47)35-23-39(53-29(3)49)43(55-31(5)51)41-33(35)16-12-18-45-41/h11-12,15-18,22-23,25-27H,6-10,13-14,19-21,24H2,1-5H3 |
| InChIKey | KZFPXRRJXMRKMJ-UHFFFAOYSA-N |
| Molecular Weight | 748.877 g/mol |
| SMILES | c1(c(-c2c3c(nccc3)c(c(c2)OC(=O)C)OC(=O)C)c[n](c1)CCCN1CC(C)CCCCCCC1)-c1c2c(nccc2)c(c(c1)OC(=O)C)OC(=O)C |
| SPLASH | splash10-08u1-0104329200-f001b473d3d980b5891e |
| Source of Spectrum | AT-40-1000-3 |
| Wiley ID | 854385 |