| SpectraBase Spectrum ID |
J2Q4GVGzBtP |
| Name |
2-Oxy-3-(4'-ethoxycarbonylpyridinium-1'-yl)-1,4-naphthoquinone |
| Comments |
Note: The molecular formula of the structure shown is C18H14NO5 - which differs from the formula reported for the mass spectrum (C18H13NO3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H13NO3 |
| InChI |
InChI=1S/C18H14NO5/c1-2-24-18(23)11-7-9-19(10-8-11)14-15(20)12-5-3-4-6-13(12)16(21)17(14)22/h3-10,14H,2H2,1H3/q+1 |
| InChIKey |
SVKWPDSULRVRCG-UHFFFAOYSA-N |
| Molecular Weight |
324.312 g/mol |
| SMILES |
C1(C(C(C(c2ccccc12)=O)[n+]1ccc(cc1)C(=O)OCC)=O)=O |
| SPLASH |
splash10-00n0-9570000000-e9821ddce7653fe2fb0f |
| Source of Spectrum |
SO-0-616-3 |
| Wiley ID |
874528 |
