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 |