![1H-pyrazole-5-carboxylic acid, 3-[4-(octyloxy)phenyl]-, 2-[(3E)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazide](/api/spectrum/1Uvn080XOJR/structure.png?h=300&w=458 "1H-pyrazole-5-carboxylic acid, 3-[4-(octyloxy)phenyl]-, 2-[(3E)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazide")
| SpectraBase Compound ID | HCQNhB3VU0b |
|---|---|
| InChI | InChI=1S/C26H29N5O3/c1-2-3-4-5-6-9-16-34-19-14-12-18(13-15-19)22-17-23(29-28-22)25(32)31-30-24-20-10-7-8-11-21(20)27-26(24)33/h7-8,10-15,17H,2-6,9,16H2,1H3,(H,28,29)(H,31,32)(H,27,30,33) |
| InChIKey | YSSINBIAIJXSDV-UHFFFAOYSA-N |
| Mol Weight | 459.55 g/mol |
| Molecular Formula | C26H29N5O3 |
| Exact Mass | 459.22704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Uvn080XOJR |
|---|---|
| Name | 1H-Pyrazole-5-carboxylic acid, 3-[4-(octyloxy)phenyl]-, 2-[(3E)-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 459.227039811 u |
| Formula | C26H29N5O3 |
| InChI | InChI=1S/C26H29N5O3/c1-2-3-4-5-6-9-16-34-19-14-12-18(13-15-19)22-17-23(29-28-22)25(32)31-30-24-20-10-7-8-11-21(20)27-26(24)33/h7-8,10-15,17H,2-6,9,16H2,1H3,(H,28,29)(H,31,32)(H,27,30,33) |
| InChIKey | YSSINBIAIJXSDV-UHFFFAOYSA-N |
| Molecular Weight | 459.550 g/mol |
| SMILES | N1C2=C(\C(=N/NC(C3=CC(=NN3)C=3C=CC(=CC3)OCCCCCCCC)=O)C1=O)C=CC=C2 |