| SpectraBase Spectrum ID |
DfKKTt6Z45l |
| Name |
(1.alpha.,2.alpha.,3.beta.,4.beta.)-1,3-bis(1,3-Dimethyl-6-uracilyl)-2,4-diphenylcyclobutane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.211055394 u |
| Formula |
C28H28N4O4 |
| InChI |
InChI=1S/C28H28N4O4/c1-29-19(15-21(33)31(3)27(29)35)25-23(17-11-7-5-8-12-17)26(24(25)18-13-9-6-10-14-18)20-16-22(34)32(4)28(36)30(20)2/h5-16,23-26H,1-4H3/t23-,24-,25-,26- |
| InChIKey |
BTCPODSKVJFZIN-KKLUKGEUSA-N |
| Molecular Weight |
484.556 g/mol |
| SMILES |
C=1(N(C(=O)N(C(C1)=O)C)C)[C@]1([C@](C=2C=CC=CC2)([C@](C=2N(C(=O)N(C(C2)=O)C)C)([C@]1(C1=CC=CC=C1)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92342 |
