| SpectraBase Compound ID | 9b3bxrFIusb |
|---|---|
| InChI | InChI=1S/C10H9ClN4O2/c11-8-3-1-7(2-4-8)9(5-10(16)17)15-6-12-13-14-15/h1-4,6,9H,5H2,(H,16,17) |
| InChIKey | TZRNJRMDQZMRHB-UHFFFAOYSA-N |
| Mol Weight | 252.66 g/mol |
| Molecular Formula | C10H9ClN4O2 |
| Exact Mass | 252.041403 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DxG2Jnd11rJ |
|---|---|
| Name | 1H-Tetrazole-1-propanoic acid, beta-(4-chlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.041403244 u |
| Formula | C10H9ClN4O2 |
| InChI | InChI=1S/C10H9ClN4O2/c11-8-3-1-7(2-4-8)9(5-10(16)17)15-6-12-13-14-15/h1-4,6,9H,5H2,(H,16,17) |
| InChIKey | TZRNJRMDQZMRHB-UHFFFAOYSA-N |
| SMILES | OC(CC(N1N=NN=C1)C=1C=CC(Cl)=CC1)=O |