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(5S)-5,6,6-trimethyl-3-phenyl-2-thia-4-azatricyclo[5.2.1.0(1,5)]dec-3-ene
SpectraBase Compound ID 5mZ4wfEECJ
InChI InChI=1S/C17H21NS/c1-15(2)13-9-10-17(11-13)16(15,3)18-14(19-17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13?,16-,17?/m0/s1
InChIKey GPDJVNVLHRTLAX-PWZRNIHTSA-N
Mol Weight 271.42 g/mol
Molecular Formula C17H21NS
Exact Mass 271.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 149xn5yfX7n
Name (5S)-5,6,6-trimethyl-3-phenyl-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 C17H21NS
InChI InChI=1S/C17H21NS/c1-15(2)13-9-10-17(11-13)16(15,3)18-14(19-17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13?,16-,17?/m0/s1
InChIKey GPDJVNVLHRTLAX-PWZRNIHTSA-N
Literature Reference DOI 10.1002/rcm.3950
Molecular Weight 271.422 g/mol
SMILES C1(C)(C)[C@@]2(N=C(c3ccccc3)SC22CC1CC2)C
SPLASH splash10-000l-9710000000-f6c99572c5ff2ceafdc3
Source of Spectrum RCM-23-857-3
Synonyms (3aS)-3a,4,4-trimethyl-2-phenyl-3a,4,6,7-tetrahydro-5H-5,7a-methanobenzo[d]thiazole
Wiley ID 1820662