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(2R,3S)-1-(Benzyloxycarbonyl)-2-(4-methoxybenzyl) pyrrolidin???3-yl S-Methyl Xanthate
SpectraBase Compound ID 4war5516WnS
InChI InChI=1S/C22H25NO4S2/c1-25-18-10-8-16(9-11-18)14-19-20(27-22(28)29-2)12-13-23(19)21(24)26-15-17-6-4-3-5-7-17/h3-11,19-20H,12-15H2,1-2H3/t19-,20+/m1/s1
InChIKey PVYWXKUUMTZXGZ-UXHICEINSA-N
Mol Weight 431.57 g/mol
Molecular Formula C22H25NO4S2
Exact Mass 431.122501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JN5wmUKOyT
Name (2R,3S)-1-(Benzyloxycarbonyl)-2-(4-methoxybenzyl) pyrrolidin???3-yl S-Methyl Xanthate
Appearance Yellow oil
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Exact Mass 431.122500633 u
Formula C22H25NO4S2
InChI InChI=1S/C22H25NO4S2/c1-25-18-10-8-16(9-11-18)14-19-20(27-22(28)29-2)12-13-23(19)21(24)26-15-17-6-4-3-5-7-17/h3-11,19-20H,12-15H2,1-2H3/t19-,20+/m1/s1
InChIKey PVYWXKUUMTZXGZ-UXHICEINSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.202
Molecular Weight 431.565 g/mol
Optical Rotation [a]D20 = -3.3 (c = 1.5, CHCl3)
Quality 9
SMILES [C@]1(N(CC[C@@]1(OC(SC)=S)[H])C(OCC1=CC=CC=C1)=O)(CC1=CC=C(C=C1)OC)[H]
SPLASH splash10-0006-9000000000-175c2e0750705e1ef362
Source of Spectrum ARK-2003-12-13 (DOI: 10.3998/ark.5550190.0004.202)
Wiley ID 1899851