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2-Hexenedioic acid, 5-(methylsulfonyl)-, diethyl ester, (E)-
SpectraBase Compound ID ABXTPbBlKp6
InChI InChI=1S/C11H18O6S/c1-4-16-10(12)8-6-7-9(18(3,14)15)11(13)17-5-2/h6,8-9H,4-5,7H2,1-3H3/b8-6+
InChIKey PTAGLSGDAYUBFH-SOFGYWHQSA-N
Mol Weight 278.32 g/mol
Molecular Formula C11H18O6S
Exact Mass 278.082409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSxeMXZ803E
Name 2-Hexenedioic acid, 5-(methylsulfonyl)-, diethyl ester, (E)-
CAS Registry Number 63082-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O6S
InChI InChI=1S/C11H18O6S/c1-4-16-10(12)8-6-7-9(18(3,14)15)11(13)17-5-2/h6,8-9H,4-5,7H2,1-3H3/b8-6+
InChIKey PTAGLSGDAYUBFH-SOFGYWHQSA-N
Molecular Weight 278.319 g/mol
SMILES C(S(=O)(=O)C)(C(=O)OCC)C\C=C\C(=O)OCC
SPLASH splash10-004j-4900000000-72554367e9bf1b9e6ad9
Source of Spectrum B-30-561-0
Synonyms Diethyl (2E)-5-(methylsulfonyl)-2-hexenedioate Diethyl (E)-5-methylsuephonylhex-2-enedioate
Wiley ID 1281472