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2(3h)-benzofuranone, hexahydro-5-hydroxy-3-[(phenylmethyl)amino]-, (3.alpha.,3a.alpha.,5.beta.,7a.alpha.)-(+-)-
SpectraBase Compound ID 3iF9DpXpGjp
InChI InChI=1S/C15H19NO3/c17-11-6-7-13-12(8-11)14(15(18)19-13)16-9-10-4-2-1-3-5-10/h1-5,11-14,16-17H,6-9H2/t11-,12-,13+,14+/m1/s1
InChIKey OZAKGGKVHOFNLD-MQYQWHSLSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqyNXYJMcwb
Name 2(3h)-benzofuranone, hexahydro-5-hydroxy-3-[(phenylmethyl)amino]-, (3.alpha.,3a.alpha.,5.beta.,7a.alpha.)-(+-)-
CAS Registry Number 102285-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c17-11-6-7-13-12(8-11)14(15(18)19-13)16-9-10-4-2-1-3-5-10/h1-5,11-14,16-17H,6-9H2/t11-,12-,13+,14+/m1/s1
InChIKey OZAKGGKVHOFNLD-MQYQWHSLSA-N
Molecular Weight 261.321 g/mol
SMILES N([C@]1([C@@]2(C[C@@](CC[C@@]2(OC1=O)[H])(O)[H])[H])[H])Cc1ccccc1
SPLASH splash10-052f-9700000000-824fd1684ebf2409d8df
Source of Spectrum J-51-2605-8
Synonyms (3S,3aS,5R,7aS)-3-(benzylamino)-5-hydroxyhexahydro-1-benzofuran-2(3H)-one
Wiley ID 1264833