| SpectraBase Compound ID | Ht6SznV6qvB |
|---|---|
| InChI | InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+ |
| InChIKey | QELCXXZZKSRBET-PKNBQFBNSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C12H13N |
| Exact Mass | 171.104799 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HWwsDTaVZzf |
|---|---|
| Name | Citronitrile, mixture of cis and trans |
| Catalog Number | 224472 |
| CAS Registry Number | 4786-20-3 |
| Copyright | Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13N |
| Formula (reported) | C12H13N |
| InChI | InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+ |
| InChIKey | QELCXXZZKSRBET-PKNBQFBNSA-N |
| Purity | 97% |
| Wiley ID | SIAL_RAMAN_005129 |