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(2S,6R,1'R)-N-(2-Hydroxy-1-phenylethyl)-2-methyl-6-[(E)-undec-3-en-1-ynyl]piperidine

View entire compound with spectra: 1 MS (GC)

(2S,6R,1'R)-N-(2-Hydroxy-1-phenylethyl)-2-methyl-6-[(E)-undec-3-en-1-ynyl]piperidine
SpectraBase Compound ID 4CEnLQCqNQy
InChI InChI=1S/C25H37NO/c1-3-4-5-6-7-8-9-10-14-19-24-20-15-16-22(2)26(24)25(21-27)23-17-12-11-13-18-23/h9-13,17-18,22,24-25,27H,3-8,15-16,20-21H2,1-2H3/b10-9+/t22-,24-,25-/m0/s1
InChIKey YFYYLVDBUSGTTB-SWQAPZLMSA-N
Mol Weight 367.6 g/mol
Molecular Formula C25H37NO
Exact Mass 367.287515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r8GBFTSYW5
Name (2S,6R,1'R)-N-(2-Hydroxy-1-phenylethyl)-2-methyl-6-[(E)-undec-3-en-1-ynyl]piperidine
Alternate Name(s) (2R)-2-{(2S,6R)-2-methyl-6-[(3E)-3-undecen-1-ynyl]piperidinyl}-2-phenylethanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37NO
InChI InChI=1S/C25H37NO/c1-3-4-5-6-7-8-9-10-14-19-24-20-15-16-22(2)26(24)25(21-27)23-17-12-11-13-18-23/h9-13,17-18,22,24-25,27H,3-8,15-16,20-21H2,1-2H3/b10-9+/t22-,24-,25-/m0/s1
InChIKey YFYYLVDBUSGTTB-SWQAPZLMSA-N
Molecular Weight 367.577 g/mol
SMILES OC[C@](N1[C@@](C#C\C=C\CCCCCCC)(CCC[C@@]1(C)[H])[H])(c1ccccc1)[H]
SPLASH splash10-000i-0009000000-fa802bb8919c8cb8ced5
Source of Spectrum F-54-13968-25
Wiley ID 809505