| SpectraBase Spectrum ID |
KmW8UvFagtJ |
| Name |
2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-[12-(4-morpholinyl)bicyclo[9.1.0]dodec-12-yl]-, stereoisomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.292994117 u |
| Formula |
C24H39NO3 |
| InChI |
InChI=1S/C24H39NO3/c1-23(2)16-20(26)22(21(27)17-23)24(25-12-14-28-15-13-25)18-10-8-6-4-3-5-7-9-11-19(18)24/h18-19,26H,3-17H2,1-2H3/t18-,19+,24? |
| InChIKey |
XKHAEUXJDBYXJN-QRQCMCJISA-N |
| Molecular Weight |
389.580 g/mol |
| SMILES |
C1(C2=C(CC(CC2=O)(C)C)O)([C@@]2(CCCCCCCCC[C@]12[H])[H])N1CCOCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805587 |
![2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-[12-(4-morpholinyl)bicyclo[9.1.0]dodec-12-yl]-, stereoisomer](/api/spectrum/KmW8UvFagtJ/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-[12-(4-morpholinyl)bicyclo[9.1.0]dodec-12-yl]-, stereoisomer")
