![hydroxymethyl 3-methylbenzo[b]thien-2-yl ketone, o-chlorobenzoate](/api/spectrum/DQZxKchoj3K/structure.png?h=300&w=458 "hydroxymethyl 3-methylbenzo[b]thien-2-yl ketone, o-chlorobenzoate")
| SpectraBase Compound ID | DeFsfYMfTIf |
|---|---|
| InChI | InChI=1S/C18H13ClO3S/c1-11-12-6-3-5-9-16(12)23-17(11)15(20)10-22-18(21)13-7-2-4-8-14(13)19/h2-9H,10H2,1H3 |
| InChIKey | IBDRYVLZMJAMPR-UHFFFAOYSA-N |
| Mol Weight | 344.81 g/mol |
| Molecular Formula | C18H13ClO3S |
| Exact Mass | 344.027393 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQZxKchoj3K |
|---|---|
| Name | hydroxymethyl 3-methylbenzo[b]thien-2-yl ketone, o-chlorobenzoate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H13ClO3S |
| InChI | InChI=1S/C18H13ClO3S/c1-11-12-6-3-5-9-16(12)23-17(11)15(20)10-22-18(21)13-7-2-4-8-14(13)19/h2-9H,10H2,1H3 |
| InChIKey | IBDRYVLZMJAMPR-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55418M |
| Solvent | CDCl3 |