SpectraBase Compound ID | ICGuV43nZnp |
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InChI | InChI=1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2 |
InChIKey | CVQSWZMJOGOPAV-UHFFFAOYSA-N |
Mol Weight | 164.22 g/mol |
Molecular Formula | C9H8OS |
Exact Mass | 164.029586 g/mol |
SpectraBase Spectrum ID | Kfk2803XX5E |
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Name | Thiochroman-4-one |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 122394 |
CAS Registry Number | 3528-17-4 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C9H8OS |
InChI | InChI=1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2 |
InChIKey | CVQSWZMJOGOPAV-UHFFFAOYSA-N |
Observed nucleus | 13C |
Purity | 97% |
Solvent | CDCl3 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_13CNMR_000581 |