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methyl (2R)-2-(tert-butoxycarbonylamino)-3-(4-fluorophenyl)sulfanyl-propanoate
SpectraBase Compound ID EsQg379xAYq
InChI InChI=1S/C15H20FNO4S/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-22-11-7-5-10(16)6-8-11/h5-8,12H,9H2,1-4H3,(H,17,19)/t12-/m0/s1
InChIKey AUUHPHLVAZZCMG-LBPRGKRZSA-N
Mol Weight 329.39 g/mol
Molecular Formula C15H20FNO4S
Exact Mass 329.109707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RQDXLwoRkC
Name methyl (2R)-2-(tert-butoxycarbonylamino)-3-(4-fluorophenyl)sulfanyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20FNO4S
InChI InChI=1S/C15H20FNO4S/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-22-11-7-5-10(16)6-8-11/h5-8,12H,9H2,1-4H3,(H,17,19)/t12-/m0/s1
InChIKey AUUHPHLVAZZCMG-LBPRGKRZSA-N
Instrument Name VG-Autospec M-250
Ionization Type EI
Literature Reference DOI 10.1002/anie.202205368
Molecular Weight 329.386 g/mol
Quality 605
SMILES N([C@@](CSC1=CC=C(C=C1)F)(C(OC)=O)[H])C(OC(C)(C)C)=O
SPLASH splash10-08fu-6960000000-6524eb8bb7f90dda270a
Source of Spectrum ACI-61-SM44-3a (DOI: 10.1002/anie.202205368)
Wiley ID 1897709