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(R,E,E)-2-[(Tert-butylcarbonyl)amino]-7-phenyl-3,6-heptadien-1-ol

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(R,E,E)-2-[(Tert-butylcarbonyl)amino]-7-phenyl-3,6-heptadien-1-ol
SpectraBase Compound ID 1hXisyj2ePj
InChI InChI=1S/C18H25NO3/c1-18(2,3)22-17(21)19-16(14-20)13-9-5-8-12-15-10-6-4-7-11-15/h4,6-13,16,20H,5,14H2,1-3H3,(H,19,21)/b12-8+,13-9+/t16-/m1/s1
InChIKey AFOGYXCIHCLBAM-HKQZPKSNSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOJU3dt8ZsP
Name (R,E,E)-2-[(Tert-butylcarbonyl)amino]-7-phenyl-3,6-heptadien-1-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.183443666 u
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-18(2,3)22-17(21)19-16(14-20)13-9-5-8-12-15-10-6-4-7-11-15/h4,6-13,16,20H,5,14H2,1-3H3,(H,19,21)/b12-8+,13-9+/t16-/m1/s1
InChIKey AFOGYXCIHCLBAM-HKQZPKSNSA-N
Molecular Weight 303.402 g/mol
SMILES C(N[C@](\C=C\C\C=C\C=1C=CC=CC1)(CO)[H])(OC(C)(C)C)=O