| SpectraBase Spectrum ID |
7mvLlfkD8L5 |
| Name |
1-Pentenyl-N(4)-tritylcytosine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.215412500 u |
| Formula |
C28H27N3O |
| InChI |
InChI=1S/C28H27N3O/c1-2-3-13-22-31(26-20-21-29-27(32)30-26)28(23-14-7-4-8-15-23,24-16-9-5-10-17-24)25-18-11-6-12-19-25/h4-22H,2-3H2,1H3,(H,29,30,32)/b22-13+ |
| InChIKey |
KKQVZUPRMARVMP-LPYMAVHISA-N |
| Molecular Weight |
421.544 g/mol |
| SMILES |
C=1(NC(=O)N=CC1)N(C(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1)\C=C\CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88966 |
