| SpectraBase Spectrum ID |
FhQeFrlIf6v |
| Name |
(1R,2S)-2-[(Methoxycarbonyl)amino]-1-(2,5-dimethoxyphenyl)-1-propanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.126322711 u |
| Formula |
C13H19NO5 |
| InChI |
InChI=1S/C13H19NO5/c1-8(14-13(16)19-4)12(15)10-7-9(17-2)5-6-11(10)18-3/h5-8,12,15H,1-4H3,(H,14,16)/t8-,12-/m0/s1 |
| InChIKey |
AUATWRLEFASUPL-UFBFGSQYSA-N |
| Molecular Weight |
269.297 g/mol |
| SMILES |
C=1([C@]([C@@](NC(=O)OC)(C)[H])(O)[H])C(=CC=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958717 |
![(1R,2S)-2-[(methoxycarbonyl)amino]-1-(2,5-dimethoxyphenyl)-1-propanol](/api/spectrum/FhQeFrlIf6v/structure.png?h=300&w=458 "(1R,2S)-2-[(methoxycarbonyl)amino]-1-(2,5-dimethoxyphenyl)-1-propanol")
