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2-[N-(2'-Cyclopropylideneethyl)-N-(tosylamino)]-3-phenylpropanol

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

2-[N-(2'-Cyclopropylideneethyl)-N-(tosylamino)]-3-phenylpropanol
SpectraBase Compound ID 3Wjsk2fvFDT
InChI InChI=1S/C21H25NO3S/c1-17-7-11-21(12-8-17)26(24,25)22(14-13-18-9-10-18)20(16-23)15-19-5-3-2-4-6-19/h2-8,11-13,20,23H,9-10,14-16H2,1H3
InChIKey BZSDRKUURAZZMQ-UHFFFAOYSA-N
Mol Weight 371.5 g/mol
Molecular Formula C21H25NO3S
Exact Mass 371.155515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9e4kJxquNIU
Name 2-[N-(2'-Cyclopropylideneethyl)-N-(tosylamino)]-3-phenylpropanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.155514840 u
Formula C21H25NO3S
InChI InChI=1S/C21H25NO3S/c1-17-7-11-21(12-8-17)26(24,25)22(14-13-18-9-10-18)20(16-23)15-19-5-3-2-4-6-19/h2-8,11-13,20,23H,9-10,14-16H2,1H3
InChIKey BZSDRKUURAZZMQ-UHFFFAOYSA-N
Molecular Weight 371.495 g/mol
SMILES C(N(S(C1=CC=C(C=C1)C)(=O)=O)CC=C1CC1)(CC1=CC=CC=C1)CO