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5,2,9-Ethanylylidene-1-benzoxepin-11-one, decahydro-6-[[(4-methylphenyl)sulfonyl]oxy]-, (2.alpha.,5.alpha.,5a.beta.,6.beta.,9.alpha.,9a.beta.,10R*)-
SpectraBase Compound ID 54OocrWjv6p
InChI InChI=1S/C19H22O5S/c1-10-2-4-11(5-3-10)25(21,22)24-15-9-7-13-12-6-8-14-16(18(12)20)17(15)19(13)23-14/h2-5,12-17,19H,6-9H2,1H3/t12-,13-,14-,15?,16+,17+,19+/m1/s1
InChIKey VYSQSXIDAZUFDH-VKVWYINVSA-N
Mol Weight 362.44 g/mol
Molecular Formula C19H22O5S
Exact Mass 362.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9Ugh7Ou76t
Name 5,2,9-Ethanylylidene-1-benzoxepin-11-one, decahydro-6-[[(4-methylphenyl)sulfonyl]oxy]-, (2.alpha.,5.alpha.,5a.beta.,6.beta.,9.alpha.,9a.beta.,10R*)-
CAS Registry Number 83098-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O5S
InChI InChI=1S/C19H22O5S/c1-10-2-4-11(5-3-10)25(21,22)24-15-9-7-13-12-6-8-14-16(18(12)20)17(15)19(13)23-14/h2-5,12-17,19H,6-9H2,1H3/t12-,13-,14-,15?,16+,17+,19+/m1/s1
InChIKey VYSQSXIDAZUFDH-VKVWYINVSA-N
Molecular Weight 362.440 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)[C@]2([C@]3(C(=O)[C@]4([C@@](CC1)([C@@]2(O[C@@]3(CC4)[H])[H])[H])[H])[H])[H]
SPLASH splash10-0006-9600000000-8877044aa2ef1c743508
Source of Spectrum H-65-1014-0
Synonyms 2-Oxo-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]tridec-5-yl 4-methylbenzenesulfonate [2-oxo-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]tridec-5exo-yl]ester of p-toluolsulfonoic acid
Wiley ID 1349483