| SpectraBase Spectrum ID |
gyekOcLqJ |
| Name |
Benzquinamide HC l inkbr |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.207799866 u |
| Formula |
C22H33ClN2O5 |
| InChI |
InChI=1S/C22H32N2O5.ClH/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25;/h10-11,17-19H,6-9,12-13H2,1-5H3;1H |
| InChIKey |
KZLNXGBVFTWMPS-UHFFFAOYSA-N |
| Molecular Weight |
440.968 g/mol |
| SMILES |
C1C2C=3C=C(C(=CC3CCN2CC(C1OC(=O)C)C(=O)N(CC)CC)OC)OC.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.962695 |
