| SpectraBase Spectrum ID |
5XcSr6M8ozn |
| Name |
3-o-[(R)-3',4'-Dihydro-6'-methoxy-2',5',7',8'-tetramethyl-2H-[1]benzopyran-2'-ylcarbonyl]-1,3-dicyclohexyl-urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.314457836 u |
| Formula |
C28H42N2O4 |
| InChI |
InChI=1S/C28H42N2O4/c1-17-18(2)25-23(19(3)24(17)33-5)14-15-28(4,34-25)26(31)20-10-9-13-22(16-20)30-27(32)29-21-11-7-6-8-12-21/h20-22H,6-16H2,1-5H3,(H2,29,30,32)/t20?,22?,28-/m1/s1 |
| InChIKey |
FQZSYOJXVNIEEF-BLHVWRTFSA-N |
| Molecular Weight |
470.654 g/mol |
| SMILES |
C1=2O[C@@](C(C3CC(NC(NC4CCCCC4)=O)CCC3)=O)(CCC1=C(C(OC)=C(C2C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936304 |
![3-o-[(R)-3',4'-Dihydro-6'-methoxy-2',5',7',8'-tetramethyl-2H-[1]benzopyran-2'-ylcarbonyl]-1,3-dicyclohexyl-urea](/api/spectrum/5XcSr6M8ozn/structure.png?h=300&w=458 "3-o-[(R)-3',4'-Dihydro-6'-methoxy-2',5',7',8'-tetramethyl-2H-[1]benzopyran-2'-ylcarbonyl]-1,3-dicyclohexyl-urea")
