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trans-5-Tridecyl-1,4-dioxane-2-carboxylic acid
SpectraBase Compound ID IOlqo9DdeUS
InChI InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-22-17(15-21-16)18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17-/m0/s1
InChIKey UDNJDOFQTZHVGL-IRXDYDNUSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrzPQnwbN5u
Name trans-5-Tridecyl-1,4-dioxane-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-22-17(15-21-16)18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17-/m0/s1
InChIKey UDNJDOFQTZHVGL-IRXDYDNUSA-N
Molecular Weight 314.466 g/mol
SMILES OC([C@]1(OC[C@@](OC1)(CCCCCCCCCCCCC)[H])[H])=O
SPLASH splash10-00dl-9000000000-55f6d96bae79580baa1e
Source of Spectrum SO-0-2134-3
Synonyms (2S,5S)-5-tridecyl-1,4-dioxane-2-carboxylic acid
Wiley ID 849591