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Trans-siduron
SpectraBase Compound ID 9m1uuo7hyGp
InChI InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)/t11-,13-/m1/s1
InChIKey JXVIIQLNUPXOII-DGCLKSJQSA-N
Mol Weight 232.33 g/mol
Molecular Formula C14H20N2O
Exact Mass 232.157563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77i5R2SuQbI
Name Trans-siduron
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.157563271 u
Formula C14H20N2O
InChI InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)/t11-,13-/m1/s1
InChIKey JXVIIQLNUPXOII-DGCLKSJQSA-N
Molecular Weight 232.327 g/mol
SMILES C(N[C@]1([C@@](CCCC1)(C)[H])[H])(=O)NC=1C=CC=CC1