SpectraBase Spectrum ID |
BDRhYhp3w0W |
Name |
Ritodrine HC l inkbr |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
323.128821269 u |
Formula |
C17H22ClNO3 |
InChI |
InChI=1S/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17-;/m0./s1 |
InChIKey |
IDLSITKDRVDKRV-XHXSRVRCSA-N |
Molecular Weight |
323.820 g/mol |
SMILES |
N([C@]([C@@](C1=CC=C(C=C1)O)(O)[H])(C)[H])CCC1=CC=C(C=C1)O.Cl |
Spectrum/Structure Validation Score (Raman) |
0.98516 |