| SpectraBase Compound ID | 8IwcBqKiCOT |
|---|---|
| InChI | InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11) |
| InChIKey | GYLKKXHEIIFTJH-UHFFFAOYSA-N |
| Mol Weight | 147.13 g/mol |
| Molecular Formula | C8H5NO2 |
| Exact Mass | 147.032028 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HhklTLBjMAK |
|---|---|
| Name | 3-Cyanobenzoic acid |
| Catalog Number | 157163 |
| Brand | ALDRICH |
| CAS Registry Number | 1877-72-1 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H5NO2 |
| Formula (reported) | C8H5NO2 |
| InChI | InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11) |
| InChIKey | GYLKKXHEIIFTJH-UHFFFAOYSA-N |
| Purity | 98% |
| Synonyms | Isophthalic acid mononitrile |
| Wiley ID | SIAL_RAMAN_002046 |