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7-isopropyl-4-methyl-2-oxo-1,3-benzoxathiol-5-yl benzenesulfonate
SpectraBase Compound ID J3vkfSe2eZb
InChI InChI=1S/C17H16O5S2/c1-10(2)13-9-14(11(3)16-15(13)21-17(18)23-16)22-24(19,20)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey CKZMPAGEHWJTBY-UHFFFAOYSA-N
Mol Weight 364.43 g/mol
Molecular Formula C17H16O5S2
Exact Mass 364.043916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Xk8VPFpBCD
Name 4-METHYL-5-PHENYLSULPHONYLOXY-7-ISOPROPYL-1,3-BENZOXATHIOLAN-2-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H16O5S2
InChI InChI=1S/C17H16O5S2/c1-10(2)13-9-14(11(3)16-15(13)21-17(18)23-16)22-24(19,20)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey CKZMPAGEHWJTBY-UHFFFAOYSA-N
Molecular Weight 364.0435
SMILES c1c(C(C)C)c2OC(=O)Sc2c(C)c1OS(c1ccccc1)(=O)=O
SPLASH splash10-00fr-9220000000-bd62fb5c5f2fa418c470
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany