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trans-3a,4,5,6-Tetrahydro-6-phenyl-3H-cyclopenta[c]isoxazole
SpectraBase Compound ID 4IqER4Wwv66
InChI InChI=1S/C12H13NO/c1-2-4-9(5-3-1)11-7-6-10-8-14-13-12(10)11/h1-5,10-11H,6-8H2/t10-,11+/m1/s1
InChIKey KFPWHDDEGKDYFS-MNOVXSKESA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjlxsJZsyxZ
Name trans-3a,4,5,6-Tetrahydro-6-phenyl-3H-cyclopenta[c]isoxazole
Alternate Name(s) (3aS,6S)-6-phenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[c]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-2-4-9(5-3-1)11-7-6-10-8-14-13-12(10)11/h1-5,10-11H,6-8H2/t10-,11+/m1/s1
InChIKey KFPWHDDEGKDYFS-MNOVXSKESA-N
Molecular Weight 187.242 g/mol
SMILES C12=NOC[C@]2(CC[C@]1(c1ccccc1)[H])[H]
SPLASH splash10-001i-9800000000-65c000ee7e48e99fd08b
Source of Spectrum J-62-491-6
Wiley ID 1184002