| SpectraBase Compound ID | E3sKJSRImb5 |
|---|---|
| InChI | InChI=1S/C42H78N6O6/c1-7-13-19-37(49)43-25-27-44(38(50)20-14-8-2)29-31-46(40(52)22-16-10-4)33-35-48(42(54)24-18-12-6)36-34-47(41(53)23-17-11-5)32-30-45(28-26-43)39(51)21-15-9-3/h7-36H2,1-6H3 |
| InChIKey | QPBAZBVSUGLXQH-UHFFFAOYSA-N |
| Mol Weight | 763.1 g/mol |
| Molecular Formula | C42H78N6O6 |
| Exact Mass | 762.598284 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EwiFKSPHA2g |
|---|---|
| Name | 1,4,7,10,13,16-Hexapentanoyl-1,4,7,10,13,16-hexaazacyclooctadecane |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H78N6O6 |
| InChI | InChI=1S/C42H78N6O6/c1-7-13-19-37(49)43-25-27-44(38(50)20-14-8-2)29-31-46(40(52)22-16-10-4)33-35-48(42(54)24-18-12-6)36-34-47(41(53)23-17-11-5)32-30-45(28-26-43)39(51)21-15-9-3/h7-36H2,1-6H3 |
| InChIKey | QPBAZBVSUGLXQH-UHFFFAOYSA-N |
| Molecular Weight | 763.122 g/mol |
| SMILES | C(N1CCN(C(=O)CCCC)CCN(C(=O)CCCC)CCN(CCN(CCN(CC1)C(=O)CCCC)C(=O)CCCC)C(=O)CCCC)(=O)CCCC |
| SPLASH | splash10-0pca-6931000000-aae3511a31bb997f22fd |
| Synonyms | 1-(4,7,10,13,16-Pentapentanoyl-1,4,7,10,13,16-hexaaza-cyclooctadec-1-yl)-pentan-1-one 1-(4,7,10,13,16-pentavaleryl-1,4,7,10,13,16-hexazacyclooctadec-1-yl)pentan-1-one 1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one 1-[4,7,10,13,16-pentakis(1-oxopentyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]-1-pentanone |
| Wiley ID | 1486278 |