![2-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3-benzoxazole](/api/spectrum/KWytJyYlwGw/structure.png?h=300&w=458 "2-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3-benzoxazole")
| SpectraBase Compound ID | J3G6nSMzPnf |
|---|---|
| InChI | InChI=1S/C16H13NOS/c1-2-7-13(8-3-1)9-6-12-19-16-17-14-10-4-5-11-15(14)18-16/h1-11H,12H2/b9-6+ |
| InChIKey | MJAISNPCHCLOFR-RMKNXTFCSA-N |
| Mol Weight | 267.35 g/mol |
| Molecular Formula | C16H13NOS |
| Exact Mass | 267.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWytJyYlwGw |
|---|---|
| Name | 2-[(E)-3-Phenylprop-2-enyl]sulfanyl-1,3-benzoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.071785216 u |
| Formula | C16H13NOS |
| InChI | InChI=1S/C16H13NOS/c1-2-7-13(8-3-1)9-6-12-19-16-17-14-10-4-5-11-15(14)18-16/h1-11H,12H2/b9-6+ |
| InChIKey | MJAISNPCHCLOFR-RMKNXTFCSA-N |
| Molecular Weight | 267.346 g/mol |
| SMILES | C1(=NC=2C(O1)=CC=CC2)SC\C=C\C=1C=CC=CC1 |