| SpectraBase Compound ID | 4NTD2PtyvAG |
|---|---|
| InChI | InChI=1S/C35H66N4O4/c1-5-9-13-20-32(40)36-24-17-25-37(33(41)21-14-10-6-2)27-19-29-39(35(43)23-16-12-8-4)31-30-38(28-18-26-36)34(42)22-15-11-7-3/h5-31H2,1-4H3 |
| InChIKey | WQZAVPRXBSFZCW-UHFFFAOYSA-N |
| Mol Weight | 606.9 g/mol |
| Molecular Formula | C35H66N4O4 |
| Exact Mass | 606.508407 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 375sipso23P |
|---|---|
| Name | 1-(1,4,12-Trihexanoyl-1,4,8,12-tetraaza-cyclopentadec-8-yl)-hexan-1-one |
| Alternate Name(s) | 1,4,8,12-Tetrahexanoyl-1,4,8,12-tetraazacyclopentadecane 1-(1,4,12-tricaproyl-1,4,8,12-tetrazacyclopentadec-8-yl)hexan-1-one 1-[1,4,12-tris(1-oxohexyl)-1,4,8,12-tetrazacyclopentadec-8-yl]-1-hexanone 1-[1,4,12-tri(hexanoyl)-1,4,8,12-tetrazacyclopentadec-8-yl]hexan-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H66N4O4 |
| InChI | InChI=1S/C35H66N4O4/c1-5-9-13-20-32(40)36-24-17-25-37(33(41)21-14-10-6-2)27-19-29-39(35(43)23-16-12-8-4)31-30-38(28-18-26-36)34(42)22-15-11-7-3/h5-31H2,1-4H3 |
| InChIKey | WQZAVPRXBSFZCW-UHFFFAOYSA-N |
| Molecular Weight | 606.937 g/mol |
| SMILES | C(N1CCN(C(=O)CCCCC)CCCN(C(=O)CCCCC)CCCN(CCC1)C(=O)CCCCC)(=O)CCCCC |
| SPLASH | splash10-0596-9542110000-25e8aaed7bf39dce119a |
| Source of Spectrum | CM-1999-18313-0 |
| Wiley ID | 480667 |