| SpectraBase Spectrum ID |
JI3SSA4mTs9 |
| Name |
(+/-)-methoxyverapamil |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.293722391 u |
| Formula |
C28H40N2O5 |
| InChI |
InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3 |
| InChIKey |
XQLWNAFCTODIRK-UHFFFAOYSA-N |
| Molecular Weight |
484.637 g/mol |
| SMILES |
C1=C(C(=C(C=C1C(C(C)C)(CCCN(CCC=1C=C(C(=CC1)OC)OC)C)C#N)OC)OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.897223 |
