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3-Thienylmethyl benzoate
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BDMIESqfMCq
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