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(12R)-8.alpha.,12-epoxylabdan-15-ylcyanamide
SpectraBase Compound ID 4jCKyJrPdI5
InChI InChI=1S/C21H36N2O/c1-15(8-12-23-14-22)16-13-18-20(4)10-6-9-19(2,3)17(20)7-11-21(18,5)24-16/h15-18,23H,6-13H2,1-5H3/t15-,16-,17+,18-,20+,21-/m1/s1
InChIKey KAZRJLKRKHMSSH-LRXQYKGQSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H36N2O
Exact Mass 332.282764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiIZpXutPMt
Name (12R)-8.alpha.,12-epoxylabdan-15-ylcyanamide
Alternate Name(s) (3R)-3-[(2R,3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan-2-yl]butylcyanamide
CAS Registry Number 111944-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36N2O
InChI InChI=1S/C21H36N2O/c1-15(8-12-23-14-22)16-13-18-20(4)10-6-9-19(2,3)17(20)7-11-21(18,5)24-16/h15-18,23H,6-13H2,1-5H3/t15-,16-,17+,18-,20+,21-/m1/s1
InChIKey KAZRJLKRKHMSSH-LRXQYKGQSA-N
Molecular Weight 332.532 g/mol
SMILES N(C#N)CC[C@]([C@]1(C[C@@]2([C@@]3([C@](C(C)(C)CCC3)(CC[C@]2(O1)C)[H])C)[H])[H])(C)[H]
SPLASH splash10-00kf-0809000000-d91bf7f197cfddae0eaf
Source of Spectrum KC-1987-941-32
Wiley ID 1329865