| SpectraBase Spectrum ID |
1WlcPtQ34T2 |
| Name |
(1S*,2R*,3R*)-2-Tert-butyl-N,N-diethyl-1-methyl-3-(4-methoxyphenyl)cyclopropanecarboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.235479240 u |
| Formula |
C20H31NO2 |
| InChI |
InChI=1S/C20H31NO2/c1-8-21(9-2)18(22)20(6)16(17(20)19(3,4)5)14-10-12-15(23-7)13-11-14/h10-13,16-17H,8-9H2,1-7H3/t16-,17+,20+/m0/s1 |
| InChIKey |
MXTUJAWJXKOJFO-SQGPQFPESA-N |
| Molecular Weight |
317.473 g/mol |
| SMILES |
[C@]1(C(N(CC)CC)=O)([C@@](C2=CC=C(C=C2)OC)([C@@]1(C(C)(C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931979 |
