| SpectraBase Spectrum ID |
AX8oWZL5GZH |
| Name |
25C-Nb4Ome acetyl derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.139385953 u |
| Formula |
C20H24ClNO4 |
| InChI |
InChI=1S/C20H24ClNO4/c1-14(23)22(13-15-5-7-17(24-2)8-6-15)10-9-16-11-20(26-4)18(21)12-19(16)25-3/h5-8,11-12H,9-10,13H2,1-4H3 |
| InChIKey |
ADUFZLCQITWPQA-UHFFFAOYSA-N |
| Molecular Weight |
377.868 g/mol |
| SMILES |
C1=C(C(=CC(=C1Cl)OC)CCN(CC=1C=CC(=CC1)OC)C(C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931513 |
