| SpectraBase Compound ID | 204eZAppH2T |
|---|---|
| InChI | InChI=1S/C8H7NO4.H2O/c9-6-2-4(7(10)11)1-5(3-6)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);1H2 |
| InChIKey | JXTAIJSVIRWYQH-UHFFFAOYSA-N |
| Mol Weight | 199.16 g/mol |
| Molecular Formula | C8H9NO5 |
| Exact Mass | 199.048072 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 1yPuNe9AQ5L |
|---|---|
| Name | 5-AMINOISOPHTHALIC ACID, HYDRATED |
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| CAS Registry Number | 99-31-0 |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NO4 1+ xH2O |
| InChI | InChI=1S/C8H7NO4.H2O/c9-6-2-4(7(10)11)1-5(3-6)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);1H2 |
| InChIKey | JXTAIJSVIRWYQH-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Molecular Weight | 199.17 |
| Solvent | DMSO-d6; Reference=TMS; Temperature 297K |