| SpectraBase Spectrum ID |
HCSqV9ZoYXK |
| Name |
N,N'N''-Tris-(4-phenylbutyl)-N,N'N''-mesitylen-tri-3-amino-propion acid ethylester trihydrogenoxalate |
| Alternate Name(s) |
Triethyl 3,3',3''-((benzene-1,3,5-triyltris(methylene))tris((4-phenylbutyl)azanediyl))tripropionate trioxalate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C60H81N3O18 |
| InChI |
InChI=1S/C54H75N3O6.3C2H2O4/c1-4-61-52(58)31-37-55(34-19-16-28-46-22-10-7-11-23-46)43-49-40-50(44-56(38-32-53(59)62-5-2)35-20-17-29-47-24-12-8-13-25-47)42-51(41-49)45-57(39-33-54(60)63-6-3)36-21-18-30-48-26-14-9-15-27-48;3*3-1(4)2(5)6/h7-15,22-27,40-42H,4-6,16-21,28-39,43-45H2,1-3H3;3*(H,3,4)(H,5,6) |
| InChIKey |
AYYQJRLZAYETMG-UHFFFAOYSA-N |
| Molecular Weight |
1132.311 g/mol |
| SMILES |
OC(C(=O)O)=O.c1(CN(CCCCc2ccccc2)CCC(=O)OCC)cc(cc(c1)CN(CCCCc1ccccc1)CCC(=O)OCC)CN(CCC(=O)OCC)CCCCc1ccccc1.OC(C(=O)O)=O.OC(C(=O)O)=O |
| SPLASH |
splash10-0a4i-9000000000-652ec77cad2fa209c644 |
| Source of Spectrum |
APC-322-813-5a |
| Wiley ID |
1788559 |
