| SpectraBase Spectrum ID |
8WHbHSAQMRt |
| Name |
Nicardipine-m (deamino-hooc-) 2me P1502 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.137615668 u |
| Formula |
C20H22N2O8 |
| InChI |
InChI=1S/C20H22N2O8/c1-11-16(19(24)29-5)18(13-7-6-8-14(9-13)22(26)27)17(12(2)21(11)3)20(25)30-10-15(23)28-4/h6-9,18H,10H2,1-5H3 |
| InChIKey |
YQRSRFFNWGYKJW-UHFFFAOYSA-N |
| Molecular Weight |
418.402 g/mol |
| SMILES |
C1(=C(N(C(C)=C(C1C=1C=C(N(=O)=O)C=CC1)C(=O)OC)C)C)C(OCC(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817274 |
