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(3S,4S)-3-hexyl-4-[(2S)-2-phenylmethoxytridecyl]-2-oxetanone
SpectraBase Compound ID AGlnYW2om0y
InChI InChI=1S/C29H48O3/c1-3-5-7-9-10-11-12-13-17-21-26(31-24-25-19-15-14-16-20-25)23-28-27(29(30)32-28)22-18-8-6-4-2/h14-16,19-20,26-28H,3-13,17-18,21-24H2,1-2H3/t26-,27-,28-/m0/s1
InChIKey GAMXMSBSPXGAGZ-KCHLEUMXSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YNZmX8QH91
Name (3S,4S)-3-hexyl-4-[(2S)-2-phenylmethoxytridecyl]-2-oxetanone
Alternate Name(s) (3S,4S)-3-hexyl-4-[(2S)-2-phenylmethoxytridecyl]oxetan-2-one (3S,4S)-4-[(2S)-2-benzoxytridecyl]-3-hexyl-oxetan-2-one (3S,4S)-4-[(2S)-2-benzyloxytridecyl]-3-hexyl-oxetan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-3-5-7-9-10-11-12-13-17-21-26(31-24-25-19-15-14-16-20-25)23-28-27(29(30)32-28)22-18-8-6-4-2/h14-16,19-20,26-28H,3-13,17-18,21-24H2,1-2H3/t26-,27-,28-/m0/s1
InChIKey GAMXMSBSPXGAGZ-KCHLEUMXSA-N
Molecular Weight 444.700 g/mol
SMILES C1(O[C@]([C@@]1(CCCCCC)[H])(C[C@@](OCc1ccccc1)(CCCCCCCCCCC)[H])[H])=O
SPLASH splash10-0006-9100000000-3b2c74a503c1a4a72830
Source of Spectrum KC-0-2685-21
Wiley ID 826058