| SpectraBase Spectrum ID |
H1GhPIfHuWP |
| Name |
1,4-Bis(1-benzyl-4-(1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl) piperidin-4-yl)piperazine |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H72N12 |
| InChI |
InChI=1S/C46H72N12/c1-41(2,3)35-43(7,8)57-39(47-49-51-57)45(21-25-53(26-22-45)33-37-17-13-11-14-18-37)55-29-31-56(32-30-55)46(23-27-54(28-24-46)34-38-19-15-12-16-20-38)40-48-50-52-58(40)44(9,10)36-42(4,5)6/h11-20H,21-36H2,1-10H3 |
| InChIKey |
NYRUUZHFVOKXHA-UHFFFAOYSA-N |
| Instrument Name |
HP 5937 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2720 |
| Molecular Weight |
793.166 g/mol |
| SMILES |
c1(CN2CCC(N3CCN(C4(c5nnn[n]5C(CC(C)(C)C)(C)C)CCN(Cc5ccccc5)CC4)CC3)(c3[n](C(CC(C)(C)C)(C)C)nnn3)CC2)ccccc1 |
| SPLASH |
splash10-00r6-9631000000-7aeb85bf47c183c9bd3a |
| Source of Spectrum |
Y-54-1402-5g |
| Wiley ID |
1878214 |
