![N-[2,3-(Anti)-3-benzoyloxy-5-hexen-2-oxy]-2(1H)-thione](/api/spectrum/JI0n0qeYXMn/structure.png?h=300&w=458 "N-[2,3-(Anti)-3-benzoyloxy-5-hexen-2-oxy]-2(1H)-thione")
| SpectraBase Compound ID | 158VOe7F4uG |
|---|---|
| InChI | InChI=1S/C18H19NO3S/c1-3-9-16(21-18(20)15-10-5-4-6-11-15)14(2)22-19-13-8-7-12-17(19)23/h3-8,10-14,16H,1,9H2,2H3 |
| InChIKey | QPSUEAHCTIWITN-UHFFFAOYSA-N |
| Mol Weight | 329.41 g/mol |
| Molecular Formula | C18H19NO3S |
| Exact Mass | 329.108565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JI0n0qeYXMn |
|---|---|
| Name | N-[2,3-(Anti)-3-benzoyloxy-5-hexen-2-oxy]-2(1H)-thione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.108564647 u |
| Formula | C18H19NO3S |
| InChI | InChI=1S/C18H19NO3S/c1-3-9-16(21-18(20)15-10-5-4-6-11-15)14(2)22-19-13-8-7-12-17(19)23/h3-8,10-14,16H,1,9H2,2H3 |
| InChIKey | QPSUEAHCTIWITN-UHFFFAOYSA-N |
| Molecular Weight | 329.414 g/mol |
| SMILES | C1(N(C=CC=C1)OC(C(OC(=O)C1=CC=CC=C1)CC=C)C)=S |