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#21;(4S,7R)-7,8,8-TRIMETHYL-2-[(5-METHYLISOXAZOL-3-YL)-METHYL]-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOLE;MAJOR-ISOMER
SpectraBase Compound ID AX8sXZZrW9O
InChI InChI=1S/C16H21N3O/c1-10-7-11(18-20-10)8-19-9-12-13-5-6-16(4,14(12)17-19)15(13,2)3/h7,9,13H,5-6,8H2,1-4H3/t13-,16+/m0/s1
InChIKey RXAAUMKNIWPGIP-XJKSGUPXSA-N
Mol Weight 271.36 g/mol
Molecular Formula C16H21N3O
Exact Mass 271.168462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3nppNGfyno
Name #21;(4S,7R)-7,8,8-TRIMETHYL-2-[(5-METHYLISOXAZOL-3-YL)-METHYL]-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOLE;MAJOR-ISOMER
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21N3O
InChI InChI=1S/C16H21N3O/c1-10-7-11(18-20-10)8-19-9-12-13-5-6-16(4,14(12)17-19)15(13,2)3/h7,9,13H,5-6,8H2,1-4H3/t13-,16+/m0/s1
InChIKey RXAAUMKNIWPGIP-XJKSGUPXSA-N
Literature Reference Author A.A.WATSON,D.A.HOUSE,P.J.STEEL
Literature Reference Citation AUSTR.J.CHEM.,48,1549(1995)
Literature Reference DOI 10.1071/CH9951549
Molecular Weight 271.362 g/mol
Solvent CDCl3
Source File Reference UWMZ445