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(1R,14R) 14-Isopropyl-11-methylthio-11-azatricyclo[8.3.3]hexadeca-10(16),12(15)-diene-13-one
SpectraBase Compound ID 7fFtSNlGVvp
InChI InChI=1S/C19H29NOS/c1-13(2)17-15-11-9-7-5-4-6-8-10-14-12-16(17)18(19(15)21)20(14)22-3/h12-13,15,17H,4-11H2,1-3H3/t15-,17-/m1/s1
InChIKey FDXQOEYWXOJIDA-NVXWUHKLSA-N
Mol Weight 319.51 g/mol
Molecular Formula C19H29NOS
Exact Mass 319.196986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LOseHNjkbX
Name (1R,14R) 14-Isopropyl-11-methylthio-11-azatricyclo[8.3.3]hexadeca-10(16),12(15)-diene-13-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NOS
InChI InChI=1S/C19H29NOS/c1-13(2)17-15-11-9-7-5-4-6-8-10-14-12-16(17)18(19(15)21)20(14)22-3/h12-13,15,17H,4-11H2,1-3H3/t15-,17-/m1/s1
InChIKey FDXQOEYWXOJIDA-NVXWUHKLSA-N
Molecular Weight 319.507 g/mol
SMILES c12c3cc([n]2SC)CCCCCCCC[C@@](C1=O)([C@]3(C(C)C)[H])[H]
SPLASH splash10-000i-2090000000-b257904872a064f77654
Source of Spectrum C-120-2824-2
Synonyms (12R,13R)-13-isopropyl-2-(methylsulfanyl)-2-azatricyclo[10.2.1.1(3,14)]hexadeca-1(14),3(16)-dien-15-one (1R,14R) 14-Isopropyl-11-methylthio-11-azatricyclo[8.3.3]hexadecan-13-one 14-Isopropyl-11-methylthio-11-azatricyclo[8.3.3]hexadecan-13-one
Wiley ID 760941