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3a,4-trans-3a,6a-cis-3-(4-chlorophenyl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-4-ol
SpectraBase Compound ID 5FcJlZGbvPw
InChI InChI=1S/C12H12ClNO2/c13-8-3-1-7(2-4-8)12-11-9(15)5-6-10(11)16-14-12/h1-4,9-11,15H,5-6H2/t9-,10+,11-/m0/s1
InChIKey VDKOEIFPNZUBRR-AXFHLTTASA-N
Mol Weight 237.69 g/mol
Molecular Formula C12H12ClNO2
Exact Mass 237.055656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LDKuRdLg7m
Name 3A,4-Trans-3A,6A-cis-3-(4-chlorophenyl)-3A,5,6,6A-tetrahydro-4H-cyclopenta[D]isoxazole-4-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.055656328 u
Formula C12H12ClNO2
InChI InChI=1S/C12H12ClNO2/c13-8-3-1-7(2-4-8)12-11-9(15)5-6-10(11)16-14-12/h1-4,9-11,15H,5-6H2/t9-,10+,11-/m0/s1
InChIKey VDKOEIFPNZUBRR-AXFHLTTASA-N
Molecular Weight 237.686 g/mol
SMILES C1(=NO[C@@]2(CC[C@@]([C@]12[H])(O)[H])[H])C1=CC=C(C=C1)Cl