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(3R*,3aS*,4S*,6aR*)-Tetrahydro-1-(diphenylmethyl)-3,4-propano-1H,6H-furo[3,4-c]isoxazol-6-one
SpectraBase Compound ID 3OMX8JwQQcX
InChI InChI=1S/C21H21NO3/c23-21-20-18-16(24-21)12-7-13-17(18)25-22(20)19(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2/t16-,17+,18-,20+/m0/s1
InChIKey LTIMFQMSDFZQPT-HLNWXESRSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tL0WC93LDX
Name (3R*,3aS*,4S*,6aR*)-Tetrahydro-1-(diphenylmethyl)-3,4-propano-1H,6H-furo[3,4-c]isoxazol-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c23-21-20-18-16(24-21)12-7-13-17(18)25-22(20)19(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2/t16-,17+,18-,20+/m0/s1
InChIKey LTIMFQMSDFZQPT-HLNWXESRSA-N
Molecular Weight 335.403 g/mol
SMILES [C@@]12(N(O[C@]3([C@@]2([C@@](CCC3)([H])OC1=O)[H])[H])C(c1ccccc1)c1ccccc1)[H]
SPLASH splash10-014i-0900000000-d45e6d828bf2231c2928
Source of Spectrum F-51-115-14
Synonyms (2aR,4aS,7aR,7bS)-2-Benzhydryl-octahydro-1,4-dioxa-2-aza-cyclopenta[cd]inden-3-one (2aR,4aS,7aR,7bS)-2-benzhydryloctahydro-3H-furo[4,3,2-cd][1,2]benzisoxazol-3-one
Wiley ID 790493