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3a,4-trans-3a,6a-cis-3-(phenyl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-4-ol
SpectraBase Compound ID JaKxkX9nxdC
InChI InChI=1S/C12H13NO2/c14-9-6-7-10-11(9)12(13-15-10)8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2/t9-,10+,11-/m0/s1
InChIKey NMKGDRJWFAZXLH-AXFHLTTASA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVseBtVJJsv
Name 3a,4-trans-3a,6a-cis-3-(phenyl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c14-9-6-7-10-11(9)12(13-15-10)8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2/t9-,10+,11-/m0/s1
InChIKey NMKGDRJWFAZXLH-AXFHLTTASA-N
Molecular Weight 203.241 g/mol
SMILES O[C@@]1([C@@]2(C(=NO[C@@]2(CC1)[H])c1ccccc1)[H])[H]
SPLASH splash10-0002-0910000000-3a64f585512d95395ac6
Source of Spectrum QB-20-123-2
Synonyms (3aS,4S,6aR)-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazol-4-ol 3a,4-cis-3a,6a-cis-3-phenyl-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-4-ol 3a,4-trans-3a,6a-cis-3-(phenyl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-4-ol (name from MOL
Wiley ID 842193