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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 2MCbEWUj92b
Name Molinate
Carrier Gas Helium (20 psi)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 187.103085344 u
Formula C9H17NOS
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
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 6890-5973N
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200500250
Molecular Weight 187.301 g/mol
Quality 141
SMILES C(C)SC(=O)N1CCCCCC1
SPLASH splash10-004i-2900000000-b3759d0a2da59a39be2e
Source of Spectrum SEP-29-2334-Molinate (DOI: 10.1002/jssc.200500250)
Wiley ID 1906155