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Isopropyl (1S, 2R)-2-[(Benzyloxycarbonyl)amino]-2-(4-tolyl)-1-phenylethanesulfonate
SpectraBase Compound ID 6sqvH9jc5gg
InChI InChI=1S/C26H29NO5S/c1-19(2)32-33(29,30)25(23-12-8-5-9-13-23)24(22-16-14-20(3)15-17-22)27-26(28)31-18-21-10-6-4-7-11-21/h4-17,19,24-25H,18H2,1-3H3,(H,27,28)/t24-,25+/m1/s1
InChIKey TTZAYDUBMQIWMS-RPBOFIJWSA-N
Mol Weight 467.58 g/mol
Molecular Formula C26H29NO5S
Exact Mass 467.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xJiQnjqHOr
Name Isopropyl (1S, 2R)-2-[(Benzyloxycarbonyl)amino]-2-(4-tolyl)-1-phenylethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29NO5S
InChI InChI=1S/C26H29NO5S/c1-19(2)32-33(29,30)25(23-12-8-5-9-13-23)24(22-16-14-20(3)15-17-22)27-26(28)31-18-21-10-6-4-7-11-21/h4-17,19,24-25H,18H2,1-3H3,(H,27,28)/t24-,25+/m1/s1
InChIKey TTZAYDUBMQIWMS-RPBOFIJWSA-N
Molecular Weight 467.580 g/mol
SMILES N([C@@]([C@@](S(OC(C)C)(=O)=O)(c1ccccc1)[H])(c1ccc(cc1)C)[H])C(=O)OCc1ccccc1
SPLASH splash10-0f6x-9080000000-3399133d9e215fb186c1
Source of Spectrum F4-41-1687-5c
Wiley ID 1672388