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(3aS,6aR)-3-(Toluene-4-sulfonyl)-3,3a,6,6a-tetrahydrocyclopent-4-enoxazol-2-one
SpectraBase Compound ID Ct2B9F60eJ8
InChI InChI=1S/C13H13NO4S/c1-9-5-7-10(8-6-9)19(16,17)14-11-3-2-4-12(11)18-13(14)15/h2-3,5-8,11-12H,4H2,1H3/t11-,12+/m0/s1
InChIKey NMCPSHAFGWDFHZ-NWDGAFQWSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpRXfs3zpqP
Name (3aS,6aR)-3-(Toluene-4-sulfonyl)-3,3a,6,6a-tetrahydrocyclopent-4-enoxazol-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-9-5-7-10(8-6-9)19(16,17)14-11-3-2-4-12(11)18-13(14)15/h2-3,5-8,11-12H,4H2,1H3/t11-,12+/m0/s1
InChIKey NMCPSHAFGWDFHZ-NWDGAFQWSA-N
Molecular Weight 279.310 g/mol
SMILES c1(S(N2C(O[C@]3([C@@]2(C=CC3)[H])[H])=O)(=O)=O)ccc(cc1)C
SPLASH splash10-00r6-9660000000-5bee34198f3be19be3bd
Source of Spectrum J-67-4327-6
Synonyms (3aS,6aR)-3-(4-methylphenyl)sulfonyl-6,6a-dihydro-3aH-cyclopenta[d]oxazol-2-one (3aS,6aR)-3-(p-tolylsulfonyl)-6,6a-dihydro-3aH-cyclopenta[d]oxazol-2-one (3aS,6aR)-3-(4-methylphenyl)sulfonyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-2-one
Wiley ID 1570111