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Cyclopentylidenemethyl 4-methylbenzene(O-18O)sulfonate
SpectraBase Compound ID AF6kQMWFzG6
InChI InChI=1S/C13H16O3S/c1-11-6-8-13(9-7-11)17(14,15)16-10-12-4-2-3-5-12/h6-10H,2-5H2,1H3/i16+2
InChIKey XWRZZPOPBCELMV-VPMSBSONSA-N
Mol Weight 254.33 g/mol
Molecular Formula C13H16O218OS
Exact Mass 254.086261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xjtDRd44al
Name Cyclopentylidenemethyl 4-methylbenzene(O-18O)sulfonate
Comments Original formula: C13H16O2[18O]S
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Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-11-6-8-13(9-7-11)17(14,15)16-10-12-4-2-3-5-12/h6-10H,2-5H2,1H3/i16+2
InChIKey XWRZZPOPBCELMV-VPMSBSONSA-N
Literature Reference DOI 10.1002/anie.201310280
Molecular Weight 254.328 g/mol
SMILES c1cc(ccc1S([18O]C=C1CCCC1)(=O)=O)C
SPLASH splash10-052g-9320000000-0990e7049ad147b80f45
Source of Spectrum ACI-53-SMS74-([18O]_2a)
Synonyms cyclopentylidenemethyl 4-methylbenzenesulfonate-18O
Wiley ID 1782093