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3-(Octyloxy)-1,2,4-butanetriol
SpectraBase Compound ID C6dNPKCg26P
InChI InChI=1S/C12H26O4/c1-2-3-4-5-6-7-8-16-12(10-14)11(15)9-13/h11-15H,2-10H2,1H3/t11-,12-/m0/s1
InChIKey MGVGWUITXGNFGC-RYUDHWBXSA-N
Mol Weight 234.34 g/mol
Molecular Formula C12H26O4
Exact Mass 234.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iHnveTnGAB
Name 3-(Octyloxy)-1,2,4-butanetriol
CAS Registry Number 163776-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H26O4
InChI InChI=1S/C12H26O4/c1-2-3-4-5-6-7-8-16-12(10-14)11(15)9-13/h11-15H,2-10H2,1H3/t11-,12-/m0/s1
InChIKey MGVGWUITXGNFGC-RYUDHWBXSA-N
Molecular Weight 234.336 g/mol
SMILES OC[C@@]([C@](CO)(O)[H])(OCCCCCCCC)[H]
SPLASH splash10-0596-9000000000-81381b2e32341addd7c9
Synonyms 3-Octoxybutane-1,2,4-triol Threitol, 2-O-octyl-
Wiley ID 1492145