![6,7-dihydro-4-hydroxybenzo[b]thiophene-5-glyoxylic acid, ethyl ester](/api/spectrum/8dYVysXeq8u/structure.png?h=300&w=458 "6,7-dihydro-4-hydroxybenzo[b]thiophene-5-glyoxylic acid, ethyl ester")
| SpectraBase Compound ID | 809oZyyuofz |
|---|---|
| InChI | InChI=1S/C12H12O4S/c1-2-16-12(15)11(14)8-3-4-9-7(10(8)13)5-6-17-9/h5-6,13H,2-4H2,1H3 |
| InChIKey | KXNXGDCCJFXVQT-UHFFFAOYSA-N |
| Mol Weight | 252.28 g/mol |
| Molecular Formula | C12H12O4S |
| Exact Mass | 252.04563 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8dYVysXeq8u |
|---|---|
| Name | 6,7-dihydro-4-hydroxybenzo[b]thiophene-5-glyoxylic acid, ethyl ester |
| Comments | OH unobserved |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12O4S |
| InChI | InChI=1S/C12H12O4S/c1-2-16-12(15)11(14)8-3-4-9-7(10(8)13)5-6-17-9/h5-6,13H,2-4H2,1H3 |
| InChIKey | KXNXGDCCJFXVQT-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 10306M |
| Solvent | CDCl3 |