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Cyclopentanecarboxylic acid, 2,2,3-trimethyl-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, methyl ester, [1S-(1.alpha.,3.alpha.,4.beta.)]-
SpectraBase Compound ID KBoMtwJlG9m
InChI InChI=1S/C18H26O5S/c1-12-6-8-15(9-7-12)24(20,21)23-11-14-10-16(17(19)22-5)18(3,4)13(14)2/h6-9,13-14,16H,10-11H2,1-5H3/t13-,14-,16-/m1/s1
InChIKey MMOJNJJLQMCDPV-IIAWOOMASA-N
Mol Weight 354.46 g/mol
Molecular Formula C18H26O5S
Exact Mass 354.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JChQzsvPDr4
Name Cyclopentanecarboxylic acid, 2,2,3-trimethyl-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, methyl ester, [1S-(1.alpha.,3.alpha.,4.beta.)]-
Alternate Name(s) (1S,3S,4R)-Methyl 3-(((p-tolylsulfonyl)oxy]methyl]-4,5,5-trimethylcyclopentanecarboxylate Methyl (1S,3R,4S)-2,2,3-trimethyl-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)cyclopentanecarboxylate
CAS Registry Number 127255-28-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O5S
InChI InChI=1S/C18H26O5S/c1-12-6-8-15(9-7-12)24(20,21)23-11-14-10-16(17(19)22-5)18(3,4)13(14)2/h6-9,13-14,16H,10-11H2,1-5H3/t13-,14-,16-/m1/s1
InChIKey MMOJNJJLQMCDPV-IIAWOOMASA-N
Molecular Weight 354.461 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@@]1([C@](C(C)(C)[C@](C1)(C(=O)OC)[H])(C)[H])[H]
SPLASH splash10-00yi-0900000000-6f546357dbbb4cf8bf84
Source of Spectrum J-55-4058-27
Wiley ID 1344440