SpectraBase Compound ID | K2eXAyjCxxs |
---|---|
InChI | InChI=1S/C12H10O2S/c13-12(11-4-2-1-3-5-11)14-8-10-6-7-15-9-10/h1-7,9H,8H2 |
InChIKey | NESLWFLLEYZTPH-UHFFFAOYSA-N |
Mol Weight | 218.27 g/mol |
Molecular Formula | C12H10O2S |
Exact Mass | 218.040151 g/mol |
SpectraBase Spectrum ID | BDMIESqfMCq |
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Name | 3-Thienylmethyl benzoate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 218.040150734 u |
Formula | C12H10O2S |
InChI | InChI=1S/C12H10O2S/c13-12(11-4-2-1-3-5-11)14-8-10-6-7-15-9-10/h1-7,9H,8H2 |
InChIKey | NESLWFLLEYZTPH-UHFFFAOYSA-N |
Molecular Weight | 218.270 g/mol |
SMILES | C(C=1C=CC=CC1)(=O)OCC1=CSC=C1 |