SpectraBase Spectrum ID |
qleSkMsivq |
Name |
(2S)-1-(2-Methoxyphenoxy)-3-(propan-2-ylamino)-2-propanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.152143537 u |
Formula |
C13H21NO3 |
InChI |
InChI=1S/C13H21NO3/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3/h4-7,10-11,14-15H,8-9H2,1-3H3/t11-/m0/s1 |
InChIKey |
LFTFGCDECFPSQD-NSHDSACASA-N |
Molecular Weight |
239.315 g/mol |
SMILES |
C1(OC[C@](CNC(C)C)(O)[H])=C(OC)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942608 |