![2-[4-(Phenylsulfanyl)butyl]isoindoline-1,3-dione](/api/spectrum/EoO0pBzwzb9/structure.png?h=300&w=458 "2-[4-(Phenylsulfanyl)butyl]isoindoline-1,3-dione")
| SpectraBase Compound ID | ICVbviJntuZ |
|---|---|
| InChI | InChI=1S/C18H17NO2S/c20-17-15-10-4-5-11-16(15)18(21)19(17)12-6-7-13-22-14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2 |
| InChIKey | QYBMHTPDAWABDZ-UHFFFAOYSA-N |
| Mol Weight | 311.4 g/mol |
| Molecular Formula | C18H17NO2S |
| Exact Mass | 311.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EoO0pBzwzb9 |
|---|---|
| Name | 2-[4-(Phenylsulfanyl)butyl]isoindoline-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.097999963 u |
| Formula | C18H17NO2S |
| InChI | InChI=1S/C18H17NO2S/c20-17-15-10-4-5-11-16(15)18(21)19(17)12-6-7-13-22-14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2 |
| InChIKey | QYBMHTPDAWABDZ-UHFFFAOYSA-N |
| Molecular Weight | 311.399 g/mol |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)CCCCSC1=CC=CC=C1)=O |