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Erythro-1-(benzylamino)-4-methyl-2-tosyl-3-pentanol

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Erythro-1-(benzylamino)-4-methyl-2-tosyl-3-pentanol
SpectraBase Compound ID K1hdbNoq7CX
InChI InChI=1S/C20H27NO3S/c1-15(2)20(22)19(14-21-13-17-7-5-4-6-8-17)25(23,24)18-11-9-16(3)10-12-18/h4-12,15,19-22H,13-14H2,1-3H3
InChIKey RYWRNQDFRWZGMW-UHFFFAOYSA-N
Mol Weight 361.5 g/mol
Molecular Formula C20H27NO3S
Exact Mass 361.171165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WjagtfqYLE
Name Erythro-1-(benzylamino)-4-methyl-2-tosyl-3-pentanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.171164904 u
Formula C20H27NO3S
InChI InChI=1S/C20H27NO3S/c1-15(2)20(22)19(14-21-13-17-7-5-4-6-8-17)25(23,24)18-11-9-16(3)10-12-18/h4-12,15,19-22H,13-14H2,1-3H3
InChIKey RYWRNQDFRWZGMW-UHFFFAOYSA-N
Molecular Weight 361.500 g/mol
SMILES C(S(C1=CC=C(C=C1)C)(=O)=O)(C(C(C)C)O)CNCC=1C=CC=CC1