| SpectraBase Compound ID | 7yODk58T2pz |
|---|---|
| InChI | InChI=1S/C51H72N4O6/c1-7-13-19-25-56-43-31-37-40(34-46(43)59-28-22-16-10-4)52-50-39-33-45(58-27-21-15-9-3)48(61-30-24-18-12-6)36-42(39)54-51-38-32-44(57-26-20-14-8-2)47(60-29-23-17-11-5)35-41(38)53-49(37)55(50)51/h31-36H,7-30H2,1-6H3 |
| InChIKey | CIHVUTKAYUOLJK-UHFFFAOYSA-N |
| Mol Weight | 837.2 g/mol |
| Molecular Formula | C51H72N4O6 |
| Exact Mass | 836.545186 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EY8Xo6vJ42 |
|---|---|
| Name | 2,3,7,8,12,13-(Hexapentyloxy)tricycloquinazoline |
| Alternate Name(s) | 4,5,12,13,20,21-hexakis(pentyloxy)-8,16,24,25-tetraazahexacyclo[15.7.1.0(2,7).0(9,25).0(10,15).0(18,23)]pentacosa-1(24),2,4,6,8,10(15),11,13,16,18(23),19,21-dodecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C51H72N4O6 |
| InChI | InChI=1S/C51H72N4O6/c1-7-13-19-25-56-43-31-37-40(34-46(43)59-28-22-16-10-4)52-50-39-33-45(58-27-21-15-9-3)48(61-30-24-18-12-6)36-42(39)54-51-38-32-44(57-26-20-14-8-2)47(60-29-23-17-11-5)35-41(38)53-49(37)55(50)51/h31-36H,7-30H2,1-6H3 |
| InChIKey | CIHVUTKAYUOLJK-UHFFFAOYSA-N |
| Molecular Weight | 837.159 g/mol |
| SMILES | C1=2N3C(c4c(N2)cc(c(c4)OCCCCC)OCCCCC)=Nc2cc(OCCCCC)c(cc2C3=Nc2cc(OCCCCC)c(cc12)OCCCCC)OCCCCC |
| SPLASH | splash10-000i-0000000090-9cb8feb6d296bcc666f7 |
| Source of Spectrum | J-58-3827-5 |
| Wiley ID | 1417591 |