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2-(1-n-Butyl-2-hydroxy-3-(tert-butylcarbonyloxy)butyl)-4,5-diphenyloxazole

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2-(1-n-Butyl-2-hydroxy-3-(tert-butylcarbonyloxy)butyl)-4,5-diphenyloxazole
SpectraBase Compound ID EVjw8enLQnO
InChI InChI=1S/C28H35NO4/c1-6-7-18-22(24(30)19(2)32-27(31)28(3,4)5)26-29-23(20-14-10-8-11-15-20)25(33-26)21-16-12-9-13-17-21/h8-17,19,22,24,30H,6-7,18H2,1-5H3/t19-,22+,24-/m0/s1
InChIKey CROGORZZHWNBIR-KWOQKUFVSA-N
Mol Weight 449.6 g/mol
Molecular Formula C28H35NO4
Exact Mass 449.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8QeebxGyqA
Name 2-(1-N-Butyl-2-hydroxy-3-(tert-butylcarbonyloxy)butyl)-4,5-diphenyloxazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.256608607 u
Formula C28H35NO4
InChI InChI=1S/C28H35NO4/c1-6-7-18-22(24(30)19(2)32-27(31)28(3,4)5)26-29-23(20-14-10-8-11-15-20)25(33-26)21-16-12-9-13-17-21/h8-17,19,22,24,30H,6-7,18H2,1-5H3/t19-,22+,24-/m0/s1
InChIKey CROGORZZHWNBIR-KWOQKUFVSA-N
Molecular Weight 449.591 g/mol
SMILES C1(=NC(C=2C=CC=CC2)=C(O1)C=1C=CC=CC1)[C@@]([C@]([C@@](OC(C(C)(C)C)=O)(C)[H])(O)[H])(CCCC)[H]