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exo-6-Phenylthio-3-phenyl-6a,3a-dihydrofuro[3,4-d]isoxazole-4(6H)-one
SpectraBase Compound ID HztiMDYzzeq
InChI InChI=1S/C17H13NO3S/c19-16-13-14(11-7-3-1-4-8-11)18-21-15(13)17(20-16)22-12-9-5-2-6-10-12/h1-10,13,15,17H/t13-,15+,17-/m0/s1
InChIKey RQMPNTWQMLNCPZ-LXZKKBNFSA-N
Mol Weight 311.36 g/mol
Molecular Formula C17H13NO3S
Exact Mass 311.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AK0LtQGfUtS
Name exo-6-Phenylthio-3-phenyl-6a,3a-dihydrofuro[3,4-d]isoxazole-4(6H)-one
Alternate Name(s) (3aS,6S,6aR)-3-Phenyl-6-phenylsulfanyl-6,6a-dihydro-3aH-furo[3,4-d]isoxazol-4-one 3-phenyl-6-(phenylsulfanyl)-6,6a-dihydrofuro[3,4-d]isoxazol-4(3aH)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO3S
InChI InChI=1S/C17H13NO3S/c19-16-13-14(11-7-3-1-4-8-11)18-21-15(13)17(20-16)22-12-9-5-2-6-10-12/h1-10,13,15,17H/t13-,15+,17-/m0/s1
InChIKey RQMPNTWQMLNCPZ-LXZKKBNFSA-N
Molecular Weight 311.355 g/mol
SMILES [C@@]12(C(O[C@]([C@@]2(ON=C1c1ccccc1)[H])(Sc1ccccc1)[H])=O)[H]
SPLASH splash10-0002-0905000000-a5b5a0019a4cbf2e7528
Source of Spectrum F-52-3466-15
Wiley ID 795758