![1-[3-(Methylthio)propyl]-2-formylpyrrole](/api/spectrum/CsV4guO2amt/structure.png?h=300&w=458 "1-[3-(Methylthio)propyl]-2-formylpyrrole")
| SpectraBase Compound ID | 869DKoVdVrJ |
|---|---|
| InChI | InChI=1S/C9H13NOS/c1-12-7-3-6-10-5-2-4-9(10)8-11/h2,4-5,8H,3,6-7H2,1H3 |
| InChIKey | POEWGUCPJZNVBU-UHFFFAOYSA-N |
| Mol Weight | 183.27 g/mol |
| Molecular Formula | C9H13NOS |
| Exact Mass | 183.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CsV4guO2amt |
|---|---|
| Name | 1-[3-(Methylthio)propyl]-2-formylpyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.071785216 u |
| Formula | C9H13NOS |
| InChI | InChI=1S/C9H13NOS/c1-12-7-3-6-10-5-2-4-9(10)8-11/h2,4-5,8H,3,6-7H2,1H3 |
| InChIKey | POEWGUCPJZNVBU-UHFFFAOYSA-N |
| Molecular Weight | 183.269 g/mol |
| SMILES | C=1N(C(=CC1)C=O)CCCSC |