![Oxirane, [[[3-(phenylthio)-2-propenyl]oxy]methyl]-, (E)-](/api/spectrum/Fd5uvAWcpHN/structure.png?h=300&w=458 "Oxirane, [[[3-(phenylthio)-2-propenyl]oxy]methyl]-, (E)-")
| SpectraBase Compound ID | IxPBLa4PzPp |
|---|---|
| InChI | InChI=1S/C12H14O2S/c1-2-5-12(6-3-1)15-8-4-7-13-9-11-10-14-11/h1-6,8,11H,7,9-10H2/b8-4+ |
| InChIKey | KTVBSOVBPLZQFH-XBXARRHUSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fd5uvAWcpHN |
|---|---|
| Name | Oxirane, [[[3-(phenylthio)-2-propenyl]oxy]methyl]-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.071450863 u |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c1-2-5-12(6-3-1)15-8-4-7-13-9-11-10-14-11/h1-6,8,11H,7,9-10H2/b8-4+ |
| InChIKey | KTVBSOVBPLZQFH-XBXARRHUSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | C1(OC1)COC\C=C\SC=1C=CC=CC1 |