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(1S,3R,4R)-2-[(S)-1-Phenylethylamino]-2-azabicyclo[2.2.1]heptane-3(S)-isopropylmethanol

View entire compound with spectra: 1 MS (GC)

(1S,3R,4R)-2-[(S)-1-Phenylethylamino]-2-azabicyclo[2.2.1]heptane-3(S)-isopropylmethanol
SpectraBase Compound ID HYQGGy0S9gt
InChI InChI=1S/C18H27NO/c1-12(2)18(20)17-15-9-10-16(11-15)19(17)13(3)14-7-5-4-6-8-14/h4-8,12-13,15-18,20H,9-11H2,1-3H3/t13-,15+,16-,17-,18-/m0/s1
InChIKey CYXRBENOUUGHQR-ITWBUVANSA-N
Mol Weight 273.42 g/mol
Molecular Formula C18H27NO
Exact Mass 273.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I07MuvOZghD
Name (1S,3R,4R)-2-[(S)-1-Phenylethylamino]-2-azabicyclo[2.2.1]heptane-3(S)-isopropylmethanol
Alternate Name(s) (S)-2-Methyl-1-[2-((S)-1-phenyl-ethyl)-2-aza-bicyclo[2.2.1]hept-3-yl]-propan-1-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO
InChI InChI=1S/C18H27NO/c1-12(2)18(20)17-15-9-10-16(11-15)19(17)13(3)14-7-5-4-6-8-14/h4-8,12-13,15-18,20H,9-11H2,1-3H3/t13-,15+,16-,17-,18-/m0/s1
InChIKey CYXRBENOUUGHQR-ITWBUVANSA-N
Molecular Weight 273.420 g/mol
SMILES O[C@]([C@]1(N([C@@]2(C[C@]1(CC2)[H])[H])[C@](c1ccccc1)(C)[H])[H])(C(C)C)[H]
SPLASH splash10-0a4i-0910000000-76cf1db9f643e1d3abc8
Source of Spectrum QE-5-1697-13
Wiley ID 844215