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(2rs,3R,6R)-Tetrahydro-3-(N-1-naphthyl)carbamoyloxy-6-ethenyl-2-phenylselenylmethyl-2,6-dimethyl-2H-pyran
SpectraBase Compound ID 5kim3AooXg
InChI InChI=1S/C27H29NO3Se/c1-4-26(2)18-17-24(27(3,31-26)19-32-21-13-6-5-7-14-21)30-25(29)28-23-16-10-12-20-11-8-9-15-22(20)23/h4-16,24H,1,17-19H2,2-3H3,(H,28,29)/t24-,26-,27?/m0/s1
InChIKey CRZDIHJJOITGKR-OGUPFJCYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C27H29NO3Se
Exact Mass 495.131266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rDV7JTYQrs
Name (2rs,3R,6R)-Tetrahydro-3-(N-1-naphthyl)carbamoyloxy-6-ethenyl-2-phenylselenylmethyl-2,6-dimethyl-2H-pyran
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.131265795 u
Formula C27H29NO3Se
InChI InChI=1S/C27H29NO3Se/c1-4-26(2)18-17-24(27(3,31-26)19-32-21-13-6-5-7-14-21)30-25(29)28-23-16-10-12-20-11-8-9-15-22(20)23/h4-16,24H,1,17-19H2,2-3H3,(H,28,29)/t24-,26-,27?/m0/s1
InChIKey CRZDIHJJOITGKR-OGUPFJCYSA-N
Molecular Weight 494.505 g/mol
SMILES C1(O[C@](C=C)(C)CC[C@@]1(OC(NC1=C2C(C=CC=C2)=CC=C1)=O)[H])(C[Se]C=1C=CC=CC1)C