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3-(Heptyloxy)-1,2,4-butanetriol
SpectraBase Compound ID 3LYcpUuOzcu
InChI InChI=1S/C11H24O4/c1-2-3-4-5-6-7-15-11(9-13)10(14)8-12/h10-14H,2-9H2,1H3/t10-,11-/m0/s1
InChIKey NJNVFKVPHLQVDY-QWRGUYRKSA-N
Mol Weight 220.31 g/mol
Molecular Formula C11H24O4
Exact Mass 220.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQNtk1dQs5u
Name 3-(Heptyloxy)-1,2,4-butanetriol
CAS Registry Number 163776-13-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H24O4
InChI InChI=1S/C11H24O4/c1-2-3-4-5-6-7-15-11(9-13)10(14)8-12/h10-14H,2-9H2,1H3/t10-,11-/m0/s1
InChIKey NJNVFKVPHLQVDY-QWRGUYRKSA-N
Molecular Weight 220.309 g/mol
SMILES OC[C@@]([C@](CO)(O)[H])(OCCCCCCC)[H]
SPLASH splash10-0a4l-9000000000-b5bffb0f55eea3b9816c
Synonyms 3-Heptoxybutane-1,2,4-triol Threitol, 2-O-heptyl-
Wiley ID 1501378