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1.alpha.-Methoxycarbonylmethyl-2.alpha.-thiophenyl-8-oxabicyclo[3.2.1]octan-7-one
SpectraBase Compound ID 7eMrgysheu0
InChI InChI=1S/C16H18O4S/c1-19-15(18)10-16-13(17)9-11(20-16)7-8-14(16)21-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-,14-,16-/m1/s1
InChIKey YAHBEUWGKDVPRF-DJSGYFEHSA-N
Mol Weight 306.38 g/mol
Molecular Formula C16H18O4S
Exact Mass 306.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPxZgspKhK6
Name 1.alpha.-Methoxycarbonylmethyl-2.alpha.-thiophenyl-8-oxabicyclo[3.2.1]octan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4S
InChI InChI=1S/C16H18O4S/c1-19-15(18)10-16-13(17)9-11(20-16)7-8-14(16)21-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/t11-,14-,16-/m1/s1
InChIKey YAHBEUWGKDVPRF-DJSGYFEHSA-N
Molecular Weight 306.376 g/mol
SMILES [C@]12(C(C[C@](O2)(CC[C@]1(Sc1ccccc1)[H])[H])=O)CC(=O)OC
SPLASH splash10-00ts-5920000000-949f20ab2c277884726c
Source of Spectrum F-51-11300-9
Synonyms ((1S,2R,5R)-7-Oxo-2-phenylsulfanyl-8-oxa-bicyclo[3.2.1]oct-1-yl)-acetic acid methyl ester Methyl[(1S,2R)-7-oxo-2-(phenylsulfanyl)-8-oxabicyclo[3.2.1]oct-1-yl]acetate 2-[(1R,4R,5R)-6-oxo-4-(phenylthio)-8-oxabicyclo[3.2.1]octan-5-yl]acetic acid methyl ester Methyl 2-[(1R,4R,5R)-6-oxo-4-phenylsulfanyl-8-oxabicyclo[3.2.1]octan-5-yl]acetate Methyl 2-[(1R,4R,5R)-6-oxidanylidene-4-phenylsulfanyl-8-oxabicyclo[3.2.1]octan-5-yl]ethanoate
Wiley ID 793809