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(2R,3aS,7S)-3,3a,4,5,6,7-Hexahydro-2-phenyl-2H-isoxazolo[2,3-a]pyridine-7-carboxylic acid
SpectraBase Compound ID DC8XLRfOnus
InChI InChI=1S/C14H17NO3/c16-14(17)12-8-4-7-11-9-13(18-15(11)12)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2,(H,16,17)/t11-,12-,13+/m0/s1
InChIKey YNNXIDOTIADXNG-RWMBFGLXSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8muKzGaqV2
Name (2R,3aS,7S)-3,3a,4,5,6,7-Hexahydro-2-phenyl-2H-isoxazolo[2,3-a]pyridine-7-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c16-14(17)12-8-4-7-11-9-13(18-15(11)12)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2,(H,16,17)/t11-,12-,13+/m0/s1
InChIKey YNNXIDOTIADXNG-RWMBFGLXSA-N
Molecular Weight 247.294 g/mol
SMILES OC([C@]1(N2O[C@@](c3ccccc3)(C[C@@]2(CCC1)[H])[H])[H])=O
SPLASH splash10-0ue9-9560000000-879a24a5a0db16951787
Source of Spectrum H-77-559-9
Synonyms (2R,3aS,7S)-2-phenylhexahydro-2H-isoxazolo[2,3-a]pyridine-7-carboxylic acid
Wiley ID 1250074