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2H-Isoxazolo[2,3-a]pyridine, 5-(1,1-dimethylethyl)hexahydro-3-propyl-, (3.alpha.,3a.alpha.,5.beta.)-(.+-.)-
SpectraBase Compound ID DjvJZo7KyGA
InChI InChI=1S/C14H27NO/c1-5-6-11-10-16-15-8-7-12(9-13(11)15)14(2,3)4/h11-13H,5-10H2,1-4H3/t11-,12-,13+/m1/s1
InChIKey RSVSHIRTNVHNTC-UPJWGTAASA-N
Mol Weight 225.38 g/mol
Molecular Formula C14H27NO
Exact Mass 225.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZG9DMNudGJ
Name 2H-Isoxazolo[2,3-a]pyridine, 5-(1,1-dimethylethyl)hexahydro-3-propyl-, (3.alpha.,3a.alpha.,5.beta.)-(.+-.)-
Alternate Name(s) (.+-.)-5-S*-tert-Butyl-2-R*-propyl-3a-S*-H-hexahydropyrido[1,2-b]isoxazole (3S,3aS,5R)-5-tert-butyl-3-propylhexahydro-2H-isoxazolo[2,3-a]pyridine
CAS Registry Number 79715-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H27NO
InChI InChI=1S/C14H27NO/c1-5-6-11-10-16-15-8-7-12(9-13(11)15)14(2,3)4/h11-13H,5-10H2,1-4H3/t11-,12-,13+/m1/s1
InChIKey RSVSHIRTNVHNTC-UPJWGTAASA-N
Molecular Weight 225.376 g/mol
SMILES [C@]12(N(CC[C@](C2)(C(C)(C)C)[H])OC[C@]1(CCC)[H])[H]
SPLASH splash10-0a4i-9310000000-5d5e77cc0d697f56aba0
Source of Spectrum AH-112-1035-0
Wiley ID 1226565