| SpectraBase Spectrum ID |
FbBKKVsEFCg |
| Name |
2-[.alpha.-(N-Morpholino)benzyl]-1-methyl-4-isopropylcyclohexan-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.235479240 u |
| Formula |
C21H31NO2 |
| InChI |
InChI=1S/C21H31NO2/c1-15(2)18-10-9-16(3)19(21(18)23)20(17-7-5-4-6-8-17)22-11-13-24-14-12-22/h4-8,15-16,18-20H,9-14H2,1-3H3 |
| InChIKey |
IJFBGVUDDCYNAP-UHFFFAOYSA-N |
| Molecular Weight |
329.484 g/mol |
| SMILES |
C1(C(C(N2CCOCC2)C=2C=CC=CC2)C(C)CCC1C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863317 |
![2-[.alpha.-(N-Morpholino)benzyl]-1-methyl-4-isopropylcyclohexan-3-one](/api/spectrum/FbBKKVsEFCg/structure.png?h=300&w=458 "2-[.alpha.-(N-Morpholino)benzyl]-1-methyl-4-isopropylcyclohexan-3-one")
