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(2S,5S)-5-hexyl-1,4-dioxane-2-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(2S,5S)-5-hexyl-1,4-dioxane-2-carboxylic acid
SpectraBase Compound ID IdAmMLDuG3o
InChI InChI=1S/C11H20O4/c1-2-3-4-5-6-9-7-15-10(8-14-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-/m0/s1
InChIKey IMHRUYUIEHCYFP-UWVGGRQHSA-N
Mol Weight 216.28 g/mol
Molecular Formula C11H20O4
Exact Mass 216.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fnaqr0kB0M8
Name (2S,5S)-5-hexyl-1,4-dioxane-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O4
InChI InChI=1S/C11H20O4/c1-2-3-4-5-6-9-7-15-10(8-14-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-/m0/s1
InChIKey IMHRUYUIEHCYFP-UWVGGRQHSA-N
Molecular Weight 216.277 g/mol
SMILES OC([C@]1(OC[C@@](OC1)(CCCCCC)[H])[H])=O
SPLASH splash10-05fr-9100000000-0c8f13c23c3fae770daf
Source of Spectrum C5-2002-2134-3
Wiley ID 1615101