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(3S,RS)-N-(tert-Butoxycarbonyl)-3-amino-4-phenyl-1-(p-tolylsulfinyl)-2-butanone
SpectraBase Compound ID 9pnaiqp8HPc
InChI InChI=1S/C22H27NO4S/c1-16-10-12-18(13-11-16)28(26)15-20(24)19(14-17-8-6-5-7-9-17)23-21(25)27-22(2,3)4/h5-13,19H,14-15H2,1-4H3,(H,23,25)/t19-,28?/m0/s1
InChIKey CESJCLBVAKMDGM-ZAFBDEJNSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5CvRoctlBw
Name (3S,RS)-N-(tert-Butoxycarbonyl)-3-amino-4-phenyl-1-(p-tolylsulfinyl)-2-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4S
InChI InChI=1S/C22H27NO4S/c1-16-10-12-18(13-11-16)28(26)15-20(24)19(14-17-8-6-5-7-9-17)23-21(25)27-22(2,3)4/h5-13,19H,14-15H2,1-4H3,(H,23,25)/t19-,28?/m0/s1
InChIKey CESJCLBVAKMDGM-ZAFBDEJNSA-N
Molecular Weight 401.521 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(CS(c1ccc(cc1)C)=O)=O)(Cc1ccccc1)[H]
SPLASH splash10-00di-3920000000-68bd80c87d624441742f
Source of Spectrum F-65-359-2b
Wiley ID 1682121