SpectraBase Spectrum ID |
IB8hK85awk8 |
Name |
1-Acetyl-3,5-dimethyl-2,6-diphenyl-4-piperidinol, acetate (higher melting isomer) |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
365.199093730 u |
Formula |
C23H27NO3 |
InChI |
InChI=1S/C23H27NO3/c1-15-21(19-11-7-5-8-12-19)24(17(3)25)22(20-13-9-6-10-14-20)16(2)23(15)27-18(4)26/h5-16,21-23H,1-4H3 |
InChIKey |
ZAUVPPWZORGHPV-UHFFFAOYSA-N |
Molecular Weight |
365.473 g/mol |
SMILES |
CC1C(N(C(C(C1OC(=O)C)C)C=1C=CC=CC1)C(C)=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Raman) |
0.82738 |