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ACETIC ACID, 5-ACETOXY-3-BENZYLOXY-2-(BIS-ETHYLSULFANYL-METHYL)-TETRAHYDRO-PYRAN-4-YL ESTER
SpectraBase Compound ID 5WGjoC4ycAL
InChI InChI=1S/C21H30O6S2/c1-5-28-21(29-6-2)20-19(24-12-16-10-8-7-9-11-16)18(27-15(4)23)17(13-25-20)26-14(3)22/h7-11,17-21H,5-6,12-13H2,1-4H3
InChIKey LTQANBRHJSXOAR-UHFFFAOYSA-N
Mol Weight 442.59 g/mol
Molecular Formula C21H30O6S2
Exact Mass 442.148381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWo73gMZJ8i
Name ACETIC ACID, 5-ACETOXY-3-BENZYLOXY-2-(BIS-ETHYLSULFANYL-METHYL)-TETRAHYDRO-PYRAN-4-YL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O6S2
InChI InChI=1S/C21H30O6S2/c1-5-28-21(29-6-2)20-19(24-12-16-10-8-7-9-11-16)18(27-15(4)23)17(13-25-20)26-14(3)22/h7-11,17-21H,5-6,12-13H2,1-4H3
InChIKey LTQANBRHJSXOAR-UHFFFAOYSA-N
Molecular Weight 442.1476
SMILES C1OC(C(SCC)SCC)C(OCc2ccccc2)C(OC(=O)C)C1OC(=O)C
SPLASH splash10-000f-9600000000-d7473d0ef1d3c8a88815
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany