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N-[(1R,2R)-2-amino-1-(4-bromophenyl)-3-hydroxypropyl]-4-methylbenzenesulfonamide
SpectraBase Compound ID 13UWrDeW40M
InChI InChI=1S/C16H19BrN2O3S/c1-11-2-8-14(9-3-11)23(21,22)19-16(15(18)10-20)12-4-6-13(17)7-5-12/h2-9,15-16,19-20H,10,18H2,1H3/t15-,16+/m0/s1
InChIKey NJRNRFLHODUUES-JKSUJKDBSA-N
Mol Weight 399.3 g/mol
Molecular Formula C16H19BrN2O3S
Exact Mass 398.029977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HGqcDJwf2x
Name N-[(1R,2R)-2-amino-1-(4-bromophenyl)-3-hydroxypropyl]-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrN2O3S
InChI InChI=1S/C16H19BrN2O3S/c1-11-2-8-14(9-3-11)23(21,22)19-16(15(18)10-20)12-4-6-13(17)7-5-12/h2-9,15-16,19-20H,10,18H2,1H3/t15-,16+/m0/s1
InChIKey NJRNRFLHODUUES-JKSUJKDBSA-N
Molecular Weight 399.303 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@](CO)(N)[H])(c1ccc(cc1)Br)[H]
SPLASH splash10-0006-9100000000-bce9e17d6addd2c88121
Source of Spectrum QC-10-861-7
Synonyms N-[(1R,2R)-2-azanyl-1-(4-bromophenyl)-3-oxidanyl-propyl]-4-methyl-benzenesulfonamide
Wiley ID 871171