| SpectraBase Spectrum ID |
1CDynYoOBL1 |
| Name |
3,5-Octadiyne, 2,7-bis[T-butoxycarbonyl)amino]-1,8-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.267507643 u |
| Formula |
C30H36N2O4 |
| InChI |
InChI=1S/C30H36N2O4/c1-29(2,3)35-27(33)31-25(21-23-15-9-7-10-16-23)19-13-14-20-26(22-24-17-11-8-12-18-24)32-28(34)36-30(4,5)6/h7-12,15-18,25-26H,21-22H2,1-6H3,(H,31,33)(H,32,34) |
| InChIKey |
USOHPEAYPHFAKG-UHFFFAOYSA-N |
| Molecular Weight |
488.628 g/mol |
| SMILES |
C1=CC(CC(NC(=O)OC(C)(C)C)C#CC#CC(NC(OC(C)(C)C)=O)CC2=CC=CC=C2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833976 |
![3,5-Octadiyne, 2,7-bis[t-butoxycarbonyl)amino]-1,8-diphenyl-](/api/spectrum/1CDynYoOBL1/structure.png?h=300&w=458 "3,5-Octadiyne, 2,7-bis[t-butoxycarbonyl)amino]-1,8-diphenyl-")
