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(2S,3S)-1,2-o-Isopropylidenehex-5-en-3-yl p-nitribenzoate

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(2S,3S)-1,2-o-Isopropylidenehex-5-en-3-yl p-nitribenzoate
SpectraBase Compound ID C7uSrdJPpOl
InChI InChI=1S/C16H19NO6/c1-4-5-13(14-10-21-16(2,3)23-14)22-15(18)11-6-8-12(9-7-11)17(19)20/h4,6-9,13-14H,1,5,10H2,2-3H3/t13-,14-/m0/s1
InChIKey ICRDKONMJCMLBM-KBPBESRZSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPehSCuvRpo
Name (2S,3S)-1,2-o-Isopropylidenehex-5-en-3-yl p-nitribenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.121237330 u
Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-4-5-13(14-10-21-16(2,3)23-14)22-15(18)11-6-8-12(9-7-11)17(19)20/h4,6-9,13-14H,1,5,10H2,2-3H3/t13-,14-/m0/s1
InChIKey ICRDKONMJCMLBM-KBPBESRZSA-N
Molecular Weight 321.329 g/mol
SMILES C=1(N(=O)=O)C=CC(C(O[C@]([C@]2(OC(C)(C)OC2)[H])(CC=C)[H])=O)=CC1