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1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 9 MS (GC)

1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester
SpectraBase Compound ID 69VhmEyqISV
InChI InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey DEDOPGXGGQYYMW-UHFFFAOYSA-N
Mol Weight 187.3 g/mol
Molecular Formula C9H17NOS
Exact Mass 187.103085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6uSxMD9Yh3I
Name HEXAHYDRO-1H-AZEPINE-1-CARBOTHIOIC ACID, S-ETHYL ESTER
Source of Sample C. K. Tseng, D. J. Bowler Org. Magn. Resonance 17, 131(1981)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NOS
InChI InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey DEDOPGXGGQYYMW-UHFFFAOYSA-N
Molecular Weight 187.31
Solvent Chloroform-d; Reference=TMS; Temperature=302 K Spectrometer= Varian CFT-20
Synonyms 1H-AZEPINE-1-CARBOTHIOIC ACID, HEXAHYDRO-, S-ETHYL ESTER