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3-(N-Tosyl)-4-(benzoylmethyl)pentanol

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

3-(N-Tosyl)-4-(benzoylmethyl)pentanol
SpectraBase Compound ID CTExLiju2Ny
InChI InChI=1S/C20H27NO4S/c1-16-8-10-19(11-9-16)26(23,24)21-20(12-13-22)17(2)14-25-15-18-6-4-3-5-7-18/h3-11,17,20-22H,12-15H2,1-2H3/t17-,20-/m0/s1
InChIKey BHTCQIFOPIQTFO-PXNSSMCTSA-N
Mol Weight 377.5 g/mol
Molecular Formula C20H27NO4S
Exact Mass 377.16608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXaYBpa5C8d
Name 3-(N-Tosyl)-4-(benzoylmethyl)pentanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.166079523 u
Formula C20H27NO4S
InChI InChI=1S/C20H27NO4S/c1-16-8-10-19(11-9-16)26(23,24)21-20(12-13-22)17(2)14-25-15-18-6-4-3-5-7-18/h3-11,17,20-22H,12-15H2,1-2H3/t17-,20-/m0/s1
InChIKey BHTCQIFOPIQTFO-PXNSSMCTSA-N
Molecular Weight 377.499 g/mol
SMILES [C@](NS(C1=CC=C(C=C1)C)(=O)=O)([C@](COCC1=CC=CC=C1)(C)[H])(CCO)[H]