| SpectraBase Spectrum ID |
KxCj0ja71X9 |
| Name |
2-(4-{2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperazine-1-carbonyl)benzaldehyde |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H23FN4O4 |
| InChI |
InChI=1S/C28H23FN4O4/c29-24-10-9-18(16-25-21-7-3-4-8-22(21)26(35)31-30-25)15-23(24)28(37)33-13-11-32(12-14-33)27(36)20-6-2-1-5-19(20)17-34/h1-10,15,17H,11-14,16H2,(H,31,35) |
| InChIKey |
QXUNVMQNZUNKFB-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202200190 |
| Molecular Weight |
498.514 g/mol |
| Reported Formula |
C28H23FN4O4 |
| SMILES |
N1C(c2c(C(=N1)Cc1cc(c(F)cc1)C(=O)N1CCN(CC1)C(=O)c1c(cccc1)C=O)cccc2)=O |
| SPLASH |
splash10-001s-9130000000-56420ee71f7a7e83dc0b |
| Source of Spectrum |
ASC-364-SM18-5aae |
| Wiley ID |
1868639 |
![2-(4-{2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperazine-1-carbonyl)benzaldehyde](/api/spectrum/KxCj0ja71X9/structure.png?h=300&w=458 "2-(4-{2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperazine-1-carbonyl)benzaldehyde")
