| SpectraBase Spectrum ID |
KB1imdtHmw6 |
| Name |
Perseulose phenylosazone acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
598.227493301 u |
| Formula |
C29H34N4O10 |
| InChI |
InChI=1S/C29H34N4O10/c1-18(34)39-17-26(40-19(2)35)28(42-21(4)37)29(43-22(5)38)27(41-20(3)36)25(33-32-24-14-10-7-11-15-24)16-30-31-23-12-8-6-9-13-23/h6-16,26-29,31-32H,17H2,1-5H3/b30-16-,33-25+ |
| InChIKey |
MLNCNATWGIZADS-YHEAEVTDSA-N |
| Molecular Weight |
598.609 g/mol |
| SMILES |
C1=CC=CC(=C1)N\N=C/C(=N\NC1=CC=CC=C1)C(OC(C)=O)C(OC(=O)C)C(C(OC(C)=O)COC(=O)C)OC(C)=O |
