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2-Amino-3-cyano-5-[(-)-(1S',2R',4S')-bornyloxycarbonyl]-6-methyl-4-phenyl-4H-pyran

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2-Amino-3-cyano-5-[(-)-(1S',2R',4S')-bornyloxycarbonyl]-6-methyl-4-phenyl-4H-pyran
SpectraBase Compound ID Exb6UVa6FO
InChI InChI=1S/C24H28N2O3/c1-14-19(20(15-8-6-5-7-9-15)17(13-25)21(26)28-14)22(27)29-18-12-16-10-11-24(18,4)23(16,2)3/h5-9,16,18,20H,10-12,26H2,1-4H3/t16-,18+,20?,24+/m0/s1
InChIKey MMTCTFCTUWSTHD-HOZBUSBFSA-N
Mol Weight 392.5 g/mol
Molecular Formula C24H28N2O3
Exact Mass 392.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43sb2oHCYwp
Name 2-Amino-3-cyano-5-[(-)-(1S',2R',4S')-bornyloxycarbonyl]-6-methyl-4-phenyl-4H-pyran
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.209992767 u
Formula C24H28N2O3
InChI InChI=1S/C24H28N2O3/c1-14-19(20(15-8-6-5-7-9-15)17(13-25)21(26)28-14)22(27)29-18-12-16-10-11-24(18,4)23(16,2)3/h5-9,16,18,20H,10-12,26H2,1-4H3/t16-,18+,20?,24+/m0/s1
InChIKey MMTCTFCTUWSTHD-HOZBUSBFSA-N
Molecular Weight 392.499 g/mol
SMILES C=1(C(C(C#N)=C(OC1C)N)C=1C=CC=CC1)C(O[C@]1([C@@]2(C(C)(C)[C@](C1)(CC2)[H])C)[H])=O