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(2S,3S,4S)-4-Isopropyl-2-(methoxycarbonyl)-3-[(methoxycarbonyl)methyl]-1-(toluene-4-sulfonyl)pyrrolidine
SpectraBase Compound ID 68uvE1WdFOg
InChI InChI=1S/C19H25NO6S/c1-12(2)16-11-20(27(23,24)14-8-6-13(3)7-9-14)18(19(22)26-5)15(16)10-17(21)25-4/h6-9,15-16,18H,1,10-11H2,2-5H3/t15-,16-,18-/m0/s1
InChIKey MHHJSJLJMSGRFL-BQFCYCMXSA-N
Mol Weight 395.47 g/mol
Molecular Formula C19H25NO6S
Exact Mass 395.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32mED3VfGat
Name (2S,3S,4S)-4-Isopropyl-2-(methoxycarbonyl)-3-[(methoxycarbonyl)methyl]-1-(toluene-4-sulfonyl)pyrrolidine
Alternate Name(s) (2S,3S,4S)-4-Isopropenyl-2-(methoxycarbonyl)-3-[(methoxycarbonyl)methyl]-1-(toluene-4-sulfonyl)pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO6S
InChI InChI=1S/C19H25NO6S/c1-12(2)16-11-20(27(23,24)14-8-6-13(3)7-9-14)18(19(22)26-5)15(16)10-17(21)25-4/h6-9,15-16,18H,1,10-11H2,2-5H3/t15-,16-,18-/m0/s1
InChIKey MHHJSJLJMSGRFL-BQFCYCMXSA-N
Molecular Weight 395.470 g/mol
SMILES [C@]1(N(S(c2ccc(cc2)C)(=O)=O)C[C@]([C@@]1(CC(=O)OC)[H])(C(=C)C)[H])(C(=O)OC)[H]
SPLASH splash10-000l-0079000000-3479648af02b849a76ec
Source of Spectrum J-59-6972-27
Wiley ID 1366995