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Cyclopentanecarboxylic acid, 2,2,3-trimethyl-4-[[(methylsulfonyl)oxy]methyl]-, methyl ester, [1S-(1.alpha.,3.alpha.,4.beta.)]-
SpectraBase Compound ID HeLd7iSJxX1
InChI InChI=1S/C12H22O5S/c1-8-9(7-17-18(5,14)15)6-10(11(13)16-4)12(8,2)3/h8-10H,6-7H2,1-5H3/t8-,9-,10-/m1/s1
InChIKey XTUAFIDQPQCBJT-OPRDCNLKSA-N
Mol Weight 278.36 g/mol
Molecular Formula C12H22O5S
Exact Mass 278.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLRWE2i0uKk
Name Cyclopentanecarboxylic acid, 2,2,3-trimethyl-4-[[(methylsulfonyl)oxy]methyl]-, methyl ester, [1S-(1.alpha.,3.alpha.,4.beta.)]-
Alternate Name(s) (1S,3S,4R)-Methyl 3-[[methylsulfonyl)oxy]methyl]-4,5,5-trimethylcyclopentanecarboxylate Methyl (1S,3R,4S)-2,2,3-trimethyl-4-{[(methylsulfonyl)oxy]methyl}cyclopentanecarboxylate
CAS Registry Number 127255-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O5S
InChI InChI=1S/C12H22O5S/c1-8-9(7-17-18(5,14)15)6-10(11(13)16-4)12(8,2)3/h8-10H,6-7H2,1-5H3/t8-,9-,10-/m1/s1
InChIKey XTUAFIDQPQCBJT-OPRDCNLKSA-N
Molecular Weight 278.363 g/mol
SMILES C(OS(=O)(=O)C)[C@@]1([C@](C(C)(C)[C@](C1)(C(=O)OC)[H])(C)[H])[H]
SPLASH splash10-00xr-0900000000-74ca45bd4fde9423a15d
Source of Spectrum J-55-4059-28
Wiley ID 1281569