| SpectraBase Compound ID | GbmjQsvQ4Sh |
|---|---|
| InChI | InChI=1S/C18H11NO3S/c19-12-13-3-5-14(6-4-13)21-15-7-9-16(10-8-15)22-18(20)17-2-1-11-23-17/h1-11H |
| InChIKey | ZXIQEBYNGSGJNK-UHFFFAOYSA-N |
| Mol Weight | 321.35 g/mol |
| Molecular Formula | C18H11NO3S |
| Exact Mass | 321.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lGzb24r7MT |
|---|---|
| Name | 4-(4-Cyanophenoxy)phenyl 2-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.045964389 u |
| Formula | C18H11NO3S |
| InChI | InChI=1S/C18H11NO3S/c19-12-13-3-5-14(6-4-13)21-15-7-9-16(10-8-15)22-18(20)17-2-1-11-23-17/h1-11H |
| InChIKey | ZXIQEBYNGSGJNK-UHFFFAOYSA-N |
| Molecular Weight | 321.350 g/mol |
| SMILES | C(C=1SC=CC1)(OC1=CC=C(OC2=CC=C(C#N)C=C2)C=C1)=O |