| SpectraBase Spectrum ID |
27WTLXSQYP8 |
| Name |
Cyclohexanebutanamide, N-(2-hydroxy-1-methyl-2-phenylethyl)-N,2-dimethyl-3-oxo-, [1R-[1.alpha.(1S*,2R*),2.beta.]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.230393859 u |
| Formula |
C21H31NO3 |
| InChI |
InChI=1S/C21H31NO3/c1-15-17(11-7-13-19(15)23)12-8-14-20(24)22(3)16(2)21(25)18-9-5-4-6-10-18/h4-6,9-10,15-17,21,25H,7-8,11-14H2,1-3H3/t15-,16?,17+,21?/m1/s1 |
| InChIKey |
IBNZQPAYQNDREE-BAQZJKQNSA-N |
| Molecular Weight |
345.483 g/mol |
| SMILES |
C(N(C(=O)CCC[C@]1([C@](C(=O)CCC1)(C)[H])[H])C)(C(C=1C=CC=CC1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892051 |
![Cyclohexanebutanamide, N-(2-hydroxy-1-methyl-2-phenylethyl)-N,2-dimethyl-3-oxo-, [1R-[1.alpha.(1S*,2R*),2.beta.]]-](/api/spectrum/27WTLXSQYP8/structure.png?h=300&w=458 "Cyclohexanebutanamide, N-(2-hydroxy-1-methyl-2-phenylethyl)-N,2-dimethyl-3-oxo-, [1R-[1.alpha.(1S*,2R*),2.beta.]]-")
