| SpectraBase Compound ID | 1vJIcEwzesM |
|---|---|
| InChI | InChI=1S/C11H12N2O3/c1-13-9(14)5-8(11(15)16)10(13)7-3-2-4-12-6-7/h2-4,6,8,10H,5H2,1H3,(H,15,16)/t8-,10+/m0/s1 |
| InChIKey | DEYLVDCFTICBTB-WCBMZHEXSA-N |
| Mol Weight | 220.23 g/mol |
| Molecular Formula | C11H12N2O3 |
| Exact Mass | 220.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | FeCDCDX9UmL |
|---|---|
| Name | trans-4-Cotininecarboxylic acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 347574 |
| CAS Registry Number | 33224-01-0 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12N2O3 |
| InChI | InChI=1S/C11H12N2O3/c1-13-9(14)5-8(11(15)16)10(13)7-3-2-4-12-6-7/h2-4,6,8,10H,5H2,1H3,(H,15,16)/t8-,10+/m0/s1 |
| InChIKey | DEYLVDCFTICBTB-WCBMZHEXSA-N |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | trans-4'-Carboxycotinine |
| Wiley ID | SIAL_13CNMR_007269 |