| SpectraBase Spectrum ID |
3DDyjaCijw3 |
| Name |
1-Benzyloxy-2-demethoxycepharadione B |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.120843408 u |
| Formula |
C24H17NO3 |
| InChI |
InChI=1S/C24H17NO3/c1-25-19-13-16-9-5-6-10-17(16)22-20(28-14-15-7-3-2-4-8-15)12-11-18(21(19)22)23(26)24(25)27/h2-13H,14H2,1H3 |
| InChIKey |
HIEARGSGFHITIG-UHFFFAOYSA-N |
| Molecular Weight |
367.404 g/mol |
| SMILES |
C1(N(C2=C3C(C1=O)=CC=C(C3=C1C(=C2)C=CC=C1)OCC1=CC=CC=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89179 |
