| SpectraBase Spectrum ID |
9JbeB5SYaFG |
| Name |
N1,N3-Bisally-N1,N2-bis(tert-butoxycarbonyl)-N3-phenylguanidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.247106551 u |
| Formula |
C23H33N3O4 |
| InChI |
InChI=1S/C23H33N3O4/c1-9-16-25(18-14-12-11-13-15-18)19(24-20(27)29-22(3,4)5)26(17-10-2)21(28)30-23(6,7)8/h9-15H,1-2,16-17H2,3-8H3/b24-19- |
| InChIKey |
QATGOLCUJCKYEM-CLCOLTQESA-N |
| Molecular Weight |
415.534 g/mol |
| SMILES |
C(N(\C(=N/C(OC(C)(C)C)=O)N(C=1C=CC=CC1)CC=C)CC=C)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967797 |
