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erythro/threo-5-[(Benzylamino)methy]-4-tosyl-5-hexen-3-ol
SpectraBase Compound ID 4RH0xkHMO6Y
InChI InChI=1S/C21H27NO3S/c1-4-20(23)21(26(24,25)19-12-10-16(2)11-13-19)17(3)14-22-15-18-8-6-5-7-9-18/h5-13,20-23H,3-4,14-15H2,1-2H3
InChIKey IHVSUWALELKKHP-UHFFFAOYSA-N
Mol Weight 373.51 g/mol
Molecular Formula C21H27NO3S
Exact Mass 373.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkH5x4ttVUF
Name erythro/threo-5-[(Benzylamino)methy]-4-tosyl-5-hexen-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO3S
InChI InChI=1S/C21H27NO3S/c1-4-20(23)21(26(24,25)19-12-10-16(2)11-13-19)17(3)14-22-15-18-8-6-5-7-9-18/h5-13,20-23H,3-4,14-15H2,1-2H3
InChIKey IHVSUWALELKKHP-UHFFFAOYSA-N
Molecular Weight 373.511 g/mol
SMILES N(CC(C(C(O)CC)S(c1ccc(cc1)C)(=O)=O)=C)Cc1ccccc1
SPLASH splash10-0006-9110000000-36b983a93a4779e4e7cc
Source of Spectrum J-61-5009-11
Synonyms 5-[(benzylamino)methyl]-4-[(4-methylphenyl)sulfonyl]-5-hexen-3-ol
Wiley ID 1356122