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(5S)-3-ethyl-5,6,6-trimethyl-2-thia-4-azatricyclo[5.2.1.0(1,5)]dec-3-ene
SpectraBase Compound ID Htol57icj9D
InChI InChI=1S/C13H21NS/c1-5-10-14-12(4)11(2,3)9-6-7-13(12,8-9)15-10/h9H,5-8H2,1-4H3/t9?,12-,13?/m0/s1
InChIKey BSPWPHCXRSCSLV-YHECAPGISA-N
Mol Weight 223.38 g/mol
Molecular Formula C13H21NS
Exact Mass 223.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xaM6qXDx5O
Name (5S)-3-ethyl-5,6,6-trimethyl-2-thia-4-azatricyclo[5.2.1.0(1,5)]dec-3-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NS
InChI InChI=1S/C13H21NS/c1-5-10-14-12(4)11(2,3)9-6-7-13(12,8-9)15-10/h9H,5-8H2,1-4H3/t9?,12-,13?/m0/s1
InChIKey BSPWPHCXRSCSLV-YHECAPGISA-N
Literature Reference DOI 10.1002/rcm.3950
Molecular Weight 223.378 g/mol
SMILES C1(C)(C)[C@@]2(N=C(CC)SC22CC1CC2)C
SPLASH splash10-0006-8910000000-07f6cca354cbf3156dc1
Source of Spectrum RCM-23-857-2
Synonyms (3aS)-2-ethyl-3a,4,4-trimethyl-3a,4,6,7-tetrahydro-5H-5,7a-methanobenzo[d]thiazole
Wiley ID 1820661