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exo-6-Ethylthio-3-phenyl-6a,3a-dihydrofuro[3,4-d]isoxazole-4(6H)-one
SpectraBase Compound ID 92QMHckEQk3
InChI InChI=1S/C13H13NO3S/c1-2-18-13-11-9(12(15)16-13)10(14-17-11)8-6-4-3-5-7-8/h3-7,9,11,13H,2H2,1H3/t9-,11+,13-/m0/s1
InChIKey WCJYUIZOJUYYLB-NDMJEZRESA-N
Mol Weight 263.31 g/mol
Molecular Formula C13H13NO3S
Exact Mass 263.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4i0PlPGvRpi
Name exo-6-Ethylthio-3-phenyl-6a,3a-dihydrofuro[3,4-d]isoxazole-4(6H)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3S
InChI InChI=1S/C13H13NO3S/c1-2-18-13-11-9(12(15)16-13)10(14-17-11)8-6-4-3-5-7-8/h3-7,9,11,13H,2H2,1H3/t9-,11+,13-/m0/s1
InChIKey WCJYUIZOJUYYLB-NDMJEZRESA-N
Molecular Weight 263.311 g/mol
SMILES [C@@]12(C(O[C@]([C@@]2(ON=C1c1ccccc1)[H])(SCC)[H])=O)[H]
SPLASH splash10-01p9-9060000000-7bc404cda49378ba5a46
Source of Spectrum F-52-3465-13
Synonyms (3aS,6S,6aR)-6-Ethylsulfanyl-3-phenyl-6,6a-dihydro-3aH-furo[3,4-d]isoxazol-4-one 6-(ethylsulfanyl)-3-phenyl-6,6a-dihydrofuro[3,4-d]isoxazol-4(3aH)-one
Wiley ID 795760