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Sprio[(2,6-di-t-butyl-2,5-cyclohexadienone)-4',5-(3-benzoylamino-dihydro-2(5H)-furanone)]
SpectraBase Compound ID DUNTFmXuAAA
InChI InChI=1S/C24H29NO4/c1-22(2,3)16-12-24(13-17(19(16)26)23(4,5)6)14-18(21(28)29-24)25-20(27)15-10-8-7-9-11-15/h7-13,18H,14H2,1-6H3,(H,25,27)
InChIKey KGCRXEKOLJZBJG-UHFFFAOYSA-N
Mol Weight 395.5 g/mol
Molecular Formula C24H29NO4
Exact Mass 395.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOYnaobW0Mc
Name Sprio[(2,6-di-T-butyl-2,5-cyclohexadienone)-4',5-(3-benzoylamino-dihydro-2(5H)-furanone)]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.209658414 u
Formula C24H29NO4
InChI InChI=1S/C24H29NO4/c1-22(2,3)16-12-24(13-17(19(16)26)23(4,5)6)14-18(21(28)29-24)25-20(27)15-10-8-7-9-11-15/h7-13,18H,14H2,1-6H3,(H,25,27)
InChIKey KGCRXEKOLJZBJG-UHFFFAOYSA-N
Molecular Weight 395.499 g/mol
SMILES C1=C(C(C(=CC11OC(=O)C(C1)NC(=O)C1=CC=CC=C1)C(C)(C)C)=O)C(C)(C)C