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 Google Search
Mol Weight	237.69 g/mol
Molecular Formula	C12H12ClNO2
Exact Mass	237.055656 g/mol

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SpectraBase Spectrum ID	AzobtCwnSqW
Name	3a,4-trans-3a,6a-cis-3-(4-chlorophenyl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-4-ol
Alternate Name(s)	(3aS,4S,6aR)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazol-4-ol 3a,4-cis-3a,6a-cis-3-(4-chlorophenyl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-4-ol
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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	O[C@@]1([C@@]2(C(=NO[C@@]2(CC1)[H])c1ccc(cc1)Cl)[H])[H]
SPLASH	splash10-001i-0900000000-82ae1230502020f41b9c
Source of Spectrum	QB-20-123-2
Wiley ID	842191