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2H-Cyclopent[d]isoxazole, hexahydro-2-[(4-methylphenyl)sulfonyl]-, cis-
SpectraBase Compound ID GYrd2TYXuwS
InChI InChI=1S/C13H17NO3S/c1-10-5-7-12(8-6-10)18(15,16)14-9-11-3-2-4-13(11)17-14/h5-8,11,13H,2-4,9H2,1H3/t11-,13-/m0/s1
InChIKey HZWCGVOOVIHRQA-AAEUAGOBSA-N
Mol Weight 267.34 g/mol
Molecular Formula C13H17NO3S
Exact Mass 267.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbKHHywaqZL
Name 2H-Cyclopent[d]isoxazole, hexahydro-2-[(4-methylphenyl)sulfonyl]-, cis-
Alternate Name(s) (3aS,6aS)-2-[(4-methylphenyl)sulfonyl]hexahydro-2H-cyclopenta[d]isoxazole 3-Benzoyl-2-oxa-3-azabicyclo[3.3.0]oct-7-ene
CAS Registry Number 85693-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3S
InChI InChI=1S/C13H17NO3S/c1-10-5-7-12(8-6-10)18(15,16)14-9-11-3-2-4-13(11)17-14/h5-8,11,13H,2-4,9H2,1H3/t11-,13-/m0/s1
InChIKey HZWCGVOOVIHRQA-AAEUAGOBSA-N
Molecular Weight 267.343 g/mol
SMILES [C@@]12(ON(S(c3ccc(cc3)C)(=O)=O)C[C@@]2(CCC1)[H])[H]
SPLASH splash10-0900-1940000000-e4c4d9dd0afed67d867a
Source of Spectrum K-116-1116-0
Wiley ID 1271038