SpectraBase Spectrum ID |
1i57H6uSB1R |
Name |
Amlodipine-m 2me P1514 |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
423.108479745 u |
Formula |
C20H22ClNO7 |
InChI |
InChI=1S/C20H22ClNO7/c1-11-16(19(24)27-3)17(12-7-5-6-8-13(12)21)18(20(25)28-4)14(22-11)9-29-10-15(23)26-2/h5-8,17,22H,9-10H2,1-4H3 |
InChIKey |
GRDWGHHLEVWBKB-UHFFFAOYSA-N |
Molecular Weight |
423.849 g/mol |
SMILES |
C=1(C(=O)OC)C(C2=C(C=CC=C2)Cl)C(C(=O)OC)=C(COCC(OC)=O)NC1C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931489 |