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(2R,3S,6S)-deoxocassine

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(2R,3S,6S)-deoxocassine
SpectraBase Compound ID 9rz5fVFPfCN
InChI InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(20)16(2)19-17/h16-20H,3-15H2,1-2H3/t16-,17+,18+/m1/s1
InChIKey FJQJNVCOIJSMGZ-SQNIBIBYSA-N
Mol Weight 283.5 g/mol
Molecular Formula C18H37NO
Exact Mass 283.287515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfxtlezjZ1u
Name (2R,3S,6S)-deoxocassine
Alternate Name(s) (2R,3S,6S)-6-dodecyl-2-methyl-3-piperidinol
CAS Registry Number 74822-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H37NO
InChI InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(20)16(2)19-17/h16-20H,3-15H2,1-2H3/t16-,17+,18+/m1/s1
InChIKey FJQJNVCOIJSMGZ-SQNIBIBYSA-N
Molecular Weight 283.500 g/mol
SMILES N1[C@](CC[C@@]([C@]1(C)[H])(O)[H])(CCCCCCCCCCCC)[H]
SPLASH splash10-03di-2930000000-ae5ae39c63932e1b103b
Source of Spectrum AJ-58-3344-7
Wiley ID 1287197