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(2S,3S,4S)-4-Isopropyl-3-[(methoxycarbonyl)methyl]-2-(methoxymethoxymethyl)-1-(toluene-4-sulfonyl)pyrrolidine
SpectraBase Compound ID 6MRNjsdOl6J
InChI InChI=1S/C20H29NO6S/c1-14(2)18-11-21(28(23,24)16-8-6-15(3)7-9-16)19(12-27-13-25-4)17(18)10-20(22)26-5/h6-9,17-19H,1,10-13H2,2-5H3/t17-,18+,19+/m0/s1
InChIKey MXENCSNNGMDLSC-IPMKNSEASA-N
Mol Weight 411.51 g/mol
Molecular Formula C20H29NO6S
Exact Mass 411.171559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFYuFlO5sN3
Name (2S,3S,4S)-4-Isopropyl-3-[(methoxycarbonyl)methyl]-2-(methoxymethoxymethyl)-1-(toluene-4-sulfonyl)pyrrolidine
Alternate Name(s) (2S,3S,4S)-4-Isopropenyl-3-[(methoxycarbonyl)-methyl]-2-(methoxymethoxymethyl)-1-(toluene-4-sulfonyl)-pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO6S
InChI InChI=1S/C20H29NO6S/c1-14(2)18-11-21(28(23,24)16-8-6-15(3)7-9-16)19(12-27-13-25-4)17(18)10-20(22)26-5/h6-9,17-19H,1,10-13H2,2-5H3/t17-,18+,19+/m0/s1
InChIKey MXENCSNNGMDLSC-IPMKNSEASA-N
Molecular Weight 411.513 g/mol
SMILES [C@]1(N(S(c2ccc(cc2)C)(=O)=O)C[C@@]([C@@]1(CC(=O)OC)[H])(C(=C)C)[H])(COCOC)[H]
SPLASH splash10-001u-4359000000-25d3740b1e4b5d2aab8a
Source of Spectrum J-59-6972-24
Wiley ID 1374050