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(R)-3-[2-(Benzyloxy)-5-methylphenyl]-3-phenylpropyl-4-Nitrobenzenesulfonate
SpectraBase Compound ID 1noq2OHo8OQ
InChI InChI=1S/C29H27NO6S/c1-22-12-17-29(35-21-23-8-4-2-5-9-23)28(20-22)27(24-10-6-3-7-11-24)18-19-36-37(33,34)26-15-13-25(14-16-26)30(31)32/h2-17,20,27H,18-19,21H2,1H3/t27-/m1/s1
InChIKey ZPQZJZKJQAMBSY-HHHXNRCGSA-N
Mol Weight 517.6 g/mol
Molecular Formula C29H27NO6S
Exact Mass 517.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaOT7NoZe6v
Name (R)-3-[2-(Benzyloxy)-5-methylphenyl]-3-phenylpropyl-4-Nitrobenzenesulfonate
Alternate Name(s) (R)-3-(2-(benzyloxy)-5-methylphenyl)-3-phenylpropyl 4-nitrobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27NO6S
InChI InChI=1S/C29H27NO6S/c1-22-12-17-29(35-21-23-8-4-2-5-9-23)28(20-22)27(24-10-6-3-7-11-24)18-19-36-37(33,34)26-15-13-25(14-16-26)30(31)32/h2-17,20,27H,18-19,21H2,1H3/t27-/m1/s1
InChIKey ZPQZJZKJQAMBSY-HHHXNRCGSA-N
Literature Reference DOI 10.1002/adsc.200404234
Molecular Weight 517.596 g/mol
SMILES C(OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C[C@](c1ccccc1)(c1c(ccc(c1)C)OCc1ccccc1)[H]
SPLASH splash10-00di-2092000000-8f7669ea7c656de2feca
Source of Spectrum ASC-347-665-10
Wiley ID 1767887