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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQCMBilBZ8z
Name Molinate
Copyright Copyright © 2020-2024 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
Instrument Name Agilent Technologies 6890 N-5973 N
Ionization Type EI
Literature Reference DOI 10.1002/rcm.2341
Molecular Weight 187.301 g/mol
SMILES C1CCN(CCC1)C(SCC)=O
SPLASH splash10-004i-0900000000-7cfa8c4f775e2108d359
Source of Spectrum RCM-20-611-4
Wiley ID 1836556