![4-Oxobutyric acid, 4-[phenothiazin-10-yl]-, methyl ester](/api/spectrum/LSU6Kjh8b32/structure.png?h=300&w=458 "4-Oxobutyric acid, 4-[phenothiazin-10-yl]-, methyl ester")
| SpectraBase Compound ID | LFNXMPb7xCW |
|---|---|
| InChI | InChI=1S/C17H15NO3S/c1-21-17(20)11-10-16(19)18-12-6-2-4-8-14(12)22-15-9-5-3-7-13(15)18/h2-9H,10-11H2,1H3 |
| InChIKey | ATGXXNQSQDYSGI-UHFFFAOYSA-N |
| Mol Weight | 313.37 g/mol |
| Molecular Formula | C17H15NO3S |
| Exact Mass | 313.077265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSU6Kjh8b32 |
|---|---|
| Name | 4-Oxobutyric acid, 4-[phenothiazin-10-yl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.077264518 u |
| Formula | C17H15NO3S |
| InChI | InChI=1S/C17H15NO3S/c1-21-17(20)11-10-16(19)18-12-6-2-4-8-14(12)22-15-9-5-3-7-13(15)18/h2-9H,10-11H2,1H3 |
| InChIKey | ATGXXNQSQDYSGI-UHFFFAOYSA-N |
| Molecular Weight | 313.371 g/mol |
| SMILES | C12=C(N(C=3C(S2)=CC=CC3)C(CCC(OC)=O)=O)C=CC=C1 |