| SpectraBase Spectrum ID |
9eNPusuSwgy |
| Name |
Norbelladine, N-acetyl-2-o-methyl diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.168187523 u |
| Formula |
C22H25NO6 |
| InChI |
InChI=1S/C22H25NO6/c1-15(24)23(12-11-18-5-8-20(9-6-18)28-16(2)25)14-19-7-10-21(27-4)22(13-19)29-17(3)26/h5-10,13H,11-12,14H2,1-4H3 |
| InChIKey |
WAZXADPHBRUMJR-UHFFFAOYSA-N |
| Molecular Weight |
399.443 g/mol |
| SMILES |
C1(=CC(=C(C=C1)OC)OC(=O)C)CN(CCC1=CC=C(OC(=O)C)C=C1)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9449 |
