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(2R,4aR,8aR)-2-methyl-3-oxidanylidene-N-phenyl-1,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carbothioamide
SpectraBase Compound ID Fr92UBSw17z
InChI InChI=1S/C16H21N3OS/c1-16(15(21)17-11-7-3-2-4-8-11)14(20)18-12-9-5-6-10-13(12)19-16/h2-4,7-8,12-13,19H,5-6,9-10H2,1H3,(H,17,21)(H,18,20)/t12-,13-,16-/m1/s1
InChIKey XAZUNPNJSKCPMY-XJKCOSOUSA-N
Mol Weight 303.42 g/mol
Molecular Formula C16H21N3OS
Exact Mass 303.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dWZQOhGvFl
Name (2R,4aR,8aR)-2-methyl-3-oxidanylidene-N-phenyl-1,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3OS
InChI InChI=1S/C16H21N3OS/c1-16(15(21)17-11-7-3-2-4-8-11)14(20)18-12-9-5-6-10-13(12)19-16/h2-4,7-8,12-13,19H,5-6,9-10H2,1H3,(H,17,21)(H,18,20)/t12-,13-,16-/m1/s1
InChIKey XAZUNPNJSKCPMY-XJKCOSOUSA-N
Molecular Weight 303.424 g/mol
SMILES N1[C@@]2(CCCC[C@]2(NC([C@@]1(C(Nc1ccccc1)=S)C)=O)[H])[H]
SPLASH splash10-014i-1900000000-3f8c239d6cfabc839af4
Source of Spectrum F-68-2337-7
Synonyms (2R,4aR,8aR)-2-methyl-3-oxo-N-phenyl-1,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carbothioamide (2R,4aR,8aR)-3-keto-2-methyl-N-phenyl-1,4,4a,5,6,7,8,8a-octahydroquinoxaline-2-carbothioamide
Wiley ID 1572044