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(3S,4R)-4-HYDROXY-3-[N-(4-METHYLPHENYLSULFONYL)-AMINO]-1-PENTYNE
SpectraBase Compound ID BsfHt27wHa3
InChI InChI=1S/C12H15NO3S/c1-4-12(10(3)14)13-17(15,16)11-7-5-9(2)6-8-11/h1,5-8,10,12-14H,2-3H3/t10-,12+/m1/s1
InChIKey YSVBUZQVFFQAOM-PWSUYJOCSA-N
Mol Weight 253.32 g/mol
Molecular Formula C12H15NO3S
Exact Mass 253.077265 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iqzl6jnBN0D
Name (3S,4R)-4-HYDROXY-3-[N-(4-METHYLPHENYLSULFONYL)-AMINO]-1-PENTYNE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NO3S
InChI InChI=1S/C12H15NO3S/c1-4-12(10(3)14)13-17(15,16)11-7-5-9(2)6-8-11/h1,5-8,10,12-14H,2-3H3/t10-,12+/m1/s1
InChIKey YSVBUZQVFFQAOM-PWSUYJOCSA-N
Literature Reference Author H.OHNO,H.HAMAGUCHI,T.TANAKA
Literature Reference Citation J.ORG.CHEM.,66,1867(2001)
Literature Reference DOI 10.1021/jo005756v
Molecular Weight 253.316 g/mol
Solvent CDCl3
Source File Reference UWMS26226