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1-(4-methoxybenzothioyl)hexahydro-1H-azepine

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1-(4-methoxybenzothioyl)hexahydro-1H-azepine
SpectraBase Compound ID 38drnF9ZXyt
InChI InChI=1S/C14H19NOS/c1-16-13-8-6-12(7-9-13)14(17)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3
InChIKey QOKHKPQVXZPGFY-UHFFFAOYSA-N
Mol Weight 249.37 g/mol
Molecular Formula C14H19NOS
Exact Mass 249.118735 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2YIVPcE1kKK
Name 1-(4-methoxybenzothioyl)hexahydro-1H-azepine
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/C14H19NOS/c1-16-13-8-6-12(7-9-13)14(17)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3
InChIKey QOKHKPQVXZPGFY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3405
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: 9314107; UBI_ID: UBI-003406
Synonyms 4-(hexahydro-1H-azepin-1-ylcarbothioyl)phenyl methyl ether
Temperature 308 °C