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2,3-Thietanedicarboxylic acid, 4,4-dimethyl-, diethyl ester, trans-
SpectraBase Compound ID 6CFKoRkNsnB
InChI InChI=1S/C11H18O4S/c1-5-14-9(12)7-8(10(13)15-6-2)16-11(7,3)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKey VASHQYPNUGKLPY-YUMQZZPRSA-N
Mol Weight 246.32 g/mol
Molecular Formula C11H18O4S
Exact Mass 246.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XTrjqDOcqA
Name 2,3-Thietanedicarboxylic acid, 4,4-dimethyl-, diethyl ester, trans-
Alternate Name(s) 2,3-Diethyl (2S,3R)-4,4-dimethylthietane-2,3-dicarboxylate trans-2,3-dicarbethoxy-4,4-dimethyltheitane
CAS Registry Number 102505-74-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4S
InChI InChI=1S/C11H18O4S/c1-5-14-9(12)7-8(10(13)15-6-2)16-11(7,3)4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKey VASHQYPNUGKLPY-YUMQZZPRSA-N
Molecular Weight 246.321 g/mol
SMILES [C@]1(SC([C@@]1(C(=O)OCC)[H])(C)C)(C(=O)OCC)[H]
SPLASH splash10-05fr-4960000000-204543df7459d89d2e27
Source of Spectrum C-108-3818-49
Wiley ID 1248545