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(2R,3aS,7S)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-7-carbonitrile

View entire compound with spectra: 1 MS (GC)

(2R,3aS,7S)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-7-carbonitrile
SpectraBase Compound ID 47QDtZ30gud
InChI InChI=1S/C14H16N2O/c15-10-13-8-4-7-12-9-14(17-16(12)13)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-9H2/t12-,13-,14+/m0/s1
InChIKey FTAKGZLBISBLAU-MELADBBJSA-N
Mol Weight 228.29 g/mol
Molecular Formula C14H16N2O
Exact Mass 228.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PTNx0xG9mA
Name (2R,3aS,7S)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-7-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O
InChI InChI=1S/C14H16N2O/c15-10-13-8-4-7-12-9-14(17-16(12)13)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-9H2/t12-,13-,14+/m0/s1
InChIKey FTAKGZLBISBLAU-MELADBBJSA-N
Molecular Weight 228.295 g/mol
SMILES [C@@]1(ON2[C@](C1)(CCC[C@]2(C#N)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0ufr-2960000000-e992184485bcc1213fb4
Source of Spectrum H-77-559-11
Synonyms (2R,3aS,7S)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-7-carbonitrile
Wiley ID 1229983