| SpectraBase Spectrum ID |
AFsh3BGqVlM |
| Name |
(2R,3S)-1-Chloro-3-(dibenzylamino)-5-methyl-hexan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.185942225 u |
| Formula |
C21H28ClNO |
| InChI |
InChI=1S/C21H28ClNO/c1-17(2)13-20(21(24)14-22)23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,20-21,24H,13-16H2,1-2H3/t20-,21-/m0/s1 |
| InChIKey |
VPTZKLYFCBJELX-SFTDATJTSA-N |
| Molecular Weight |
345.914 g/mol |
| SMILES |
[C@](N(CC=1C=CC=CC1)CC=1C=CC=CC1)([C@@](O)(CCl)[H])(CC(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944758 |
