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(1R,2S)-2-(methyl(phenyl)amino)cyclobutyl 4-methylbenzenesulfonate
SpectraBase Compound ID RAue66dldf
InChI InChI=1S/C18H21NO3S/c1-14-8-10-16(11-9-14)23(20,21)22-18-13-12-17(18)19(2)15-6-4-3-5-7-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m0/s1
InChIKey QJJPYEHJIQYKRC-ZWKOTPCHSA-N
Mol Weight 331.43 g/mol
Molecular Formula C18H21NO3S
Exact Mass 331.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fX7iz3cYUG
Name (1R,2S)-2-(methyl(phenyl)amino)cyclobutyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-14-8-10-16(11-9-14)23(20,21)22-18-13-12-17(18)19(2)15-6-4-3-5-7-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m0/s1
InChIKey QJJPYEHJIQYKRC-ZWKOTPCHSA-N
Literature Reference DOI 10.1002/adsc.201301021
Molecular Weight 331.430 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)([C@@](N(c2ccccc2)C)(CC1)[H])[H]
SPLASH splash10-0a6r-4920000000-4385bd1c2ab25684b109
Source of Spectrum ASC-356-941/SM6-6
Wiley ID 1762286