| SpectraBase Spectrum ID |
LmHWlK8hjtB |
| Name |
Dehydrocyclopeptine, ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.116092380 u |
| Formula |
C19H16N2O3 |
| InChI |
InChI=1S/C19H16N2O3/c1-13(22)21-16-11-7-6-10-15(16)18(23)20(2)17(19(21)24)12-14-8-4-3-5-9-14/h3-12H,1-2H3/b17-12+ |
| InChIKey |
XEERUGXHYYPQHN-SFQUDFHCSA-N |
| Molecular Weight |
320.348 g/mol |
| SMILES |
C1(N(C=2C(C(N(\C1=C/C1=CC=CC=C1)C)=O)=CC=CC2)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904239 |
