| SpectraBase Spectrum ID |
6iCvu5mCRIt |
| Name |
1,3-Oxazino[6,5-G][1,3]benzoxazine, 5,10-didodecyl-3,8-dihexyl-2,3,4,7,8,9-hexahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
696.653279951 u |
| Formula |
C46H84N2O2 |
| InChI |
InChI=1S/C46H84N2O2/c1-5-9-13-17-19-21-23-25-27-29-33-41-43-37-47(35-31-15-11-7-3)40-50-46(43)42(34-30-28-26-24-22-20-18-14-10-6-2)44-38-48(39-49-45(41)44)36-32-16-12-8-4/h5-40H2,1-4H3 |
| InChIKey |
ZXPKNKLLNUAULB-UHFFFAOYSA-N |
| Molecular Weight |
697.190 g/mol |
| SMILES |
CCCCCCCCCCCCC1=C2CN(CCCCCC)COC2=C(C2=C1OCN(C2)CCCCCC)CCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918073 |
![1,3-Oxazino[6,5-g][1,3]benzoxazine, 5,10-didodecyl-3,8-dihexyl-2,3,4,7,8,9-hexahydro-](/api/spectrum/6iCvu5mCRIt/structure.png?h=300&w=458 "1,3-Oxazino[6,5-g][1,3]benzoxazine, 5,10-didodecyl-3,8-dihexyl-2,3,4,7,8,9-hexahydro-")
