| SpectraBase Spectrum ID |
HZFVBazowS7 |
| Name |
(2R,3S,4R)-5-Benzylamino-2,3-isopropylidenedioxypentane-1,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.162708221 u |
| Formula |
C15H23NO4 |
| InChI |
InChI=1S/C15H23NO4/c1-15(2)19-13(10-17)14(20-15)12(18)9-16-8-11-6-4-3-5-7-11/h3-7,12-14,16-18H,8-10H2,1-2H3/t12-,13-,14+/m1/s1 |
| InChIKey |
ADDSNLSCFFQNTA-MCIONIFRSA-N |
| SMILES |
[C@@]1(OC(C)(C)O[C@@]1(CO)[H])([C@](O)(CNCC=1C=CC=CC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908089 |
