| SpectraBase Spectrum ID |
6IBb6MkzwEV |
| Name |
o-(Tert-butoxycarbonyl)-6-hydroxyanthra[9,1-D,E]-1,3-oxarine-2,7-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.089937201 u |
| Formula |
C20H15NO6 |
| InChI |
InChI=1S/C20H15NO6/c1-20(2,3)27-19(24)26-13-9-8-12-14-15(13)17(22)11-7-5-4-6-10(11)16(14)21-18(23)25-12/h4-9H,1-3H3 |
| InChIKey |
XHTVVJNGRQLMOL-UHFFFAOYSA-N |
| Molecular Weight |
365.341 g/mol |
| SMILES |
C12=C3C(=O)C=4C(C2=NC(OC1=CC=C3OC(OC(C)(C)C)=O)=O)=CC=CC4 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866578 |
![O-(tert-Butoxycarbonyl)-6-hydroxyanthra[9,1-d,e]-1,3-oxarine-2,7-dione](/api/spectrum/6IBb6MkzwEV/structure.png?h=300&w=458 "O-(tert-Butoxycarbonyl)-6-hydroxyanthra[9,1-d,e]-1,3-oxarine-2,7-dione")
