| SpectraBase Spectrum ID |
B0PL42HDQHI |
| Name |
Tert-butoxycarbonylamino-acetic acid (9,10-dioxo-9,10-dihydro-anthracen-1-ylcarbamoyl)-methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.142701049 u |
| Formula |
C23H22N2O7 |
| InChI |
InChI=1S/C23H22N2O7/c1-23(2,3)32-22(30)24-11-18(27)31-12-17(26)25-16-10-6-9-15-19(16)21(29)14-8-5-4-7-13(14)20(15)28/h4-10H,11-12H2,1-3H3,(H,24,30)(H,25,26) |
| InChIKey |
XMNZINJYUWIBSC-UHFFFAOYSA-N |
| Molecular Weight |
438.436 g/mol |
| SMILES |
C=12C(C3=CC=CC=C3C(C1C=CC=C2NC(=O)COC(CNC(OC(C)(C)C)=O)=O)=O)=O |
