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2-acetyl-1-benzothien-3-yl 4-tert-butylbenzoate

View entire compound with spectra: 1 NMR

2-acetyl-1-benzothien-3-yl 4-tert-butylbenzoate
SpectraBase Compound ID EITImi8F4JH
InChI InChI=1S/C21H20O3S/c1-13(22)19-18(16-7-5-6-8-17(16)25-19)24-20(23)14-9-11-15(12-10-14)21(2,3)4/h5-12H,1-4H3
InChIKey NVYWRYKSUJLZDY-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C21H20O3S
Exact Mass 352.113316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1qWE1MQa4re
Name 2-acetyl-1-benzothien-3-yl 4-tert-butylbenzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H20O3S/c1-13(22)19-18(16-7-5-6-8-17(16)25-19)24-20(23)14-9-11-15(12-10-14)21(2,3)4/h5-12H,1-4H3
InChIKey NVYWRYKSUJLZDY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2863
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 114431; Labnumber: RRKR1-254; VK_ID: VK-002864
Temperature 318 °C