| SpectraBase Compound ID | FduAP02xjMy |
|---|---|
| InChI | InChI=1S/C17H12N2O4/c20-15(11-6-2-1-3-7-11)18-19-16(21)13-10-12-8-4-5-9-14(12)23-17(13)22/h1-10H,(H,18,20)(H,19,21) |
| InChIKey | KYAFFXZDEXPSNK-UHFFFAOYSA-N |
| Mol Weight | 308.29 g/mol |
| Molecular Formula | C17H12N2O4 |
| Exact Mass | 308.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqXJ9NiLDbY |
|---|---|
| Name | Coumarin-3-carbohydrazide, N2-benzoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.079706870 u |
| Formula | C17H12N2O4 |
| InChI | InChI=1S/C17H12N2O4/c20-15(11-6-2-1-3-7-11)18-19-16(21)13-10-12-8-4-5-9-14(12)23-17(13)22/h1-10H,(H,18,20)(H,19,21) |
| InChIKey | KYAFFXZDEXPSNK-UHFFFAOYSA-N |
| Molecular Weight | 308.293 g/mol |
| SMILES | C=1(C(OC=2C(C1)=CC=CC2)=O)C(NNC(=O)C1=CC=CC=C1)=O |