![4-[(3-Methyl-thiophen-2-ylmethylene)-amino]-benzoic acid propyl ester](/api/spectrum/4LWR2nMZFu1/structure.png?h=300&w=458 "4-[(3-Methyl-thiophen-2-ylmethylene)-amino]-benzoic acid propyl ester")
| SpectraBase Compound ID | 81BtukNwySX |
|---|---|
| InChI | InChI=1S/C16H17NO2S/c1-3-9-19-16(18)13-4-6-14(7-5-13)17-11-15-12(2)8-10-20-15/h4-8,10-11H,3,9H2,1-2H3/b17-11+ |
| InChIKey | TZZYKVJGTIOWFO-GZTJUZNOSA-N |
| Mol Weight | 287.38 g/mol |
| Molecular Formula | C16H17NO2S |
| Exact Mass | 287.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LWR2nMZFu1 |
|---|---|
| Name | 4-[(3-Methyl-thiophen-2-ylmethylene)-amino]-benzoic acid propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.097999963 u |
| Formula | C16H17NO2S |
| InChI | InChI=1S/C16H17NO2S/c1-3-9-19-16(18)13-4-6-14(7-5-13)17-11-15-12(2)8-10-20-15/h4-8,10-11H,3,9H2,1-2H3/b17-11+ |
| InChIKey | TZZYKVJGTIOWFO-GZTJUZNOSA-N |
| SMILES | C1(\N=C\C2=C(C=CS2)C)=CC=C(C=C1)C(OCCC)=O |