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2,5-Heptanediol
SpectraBase Compound ID AydfxvY7Y5H
InChI InChI=1S/C7H16O2/c1-3-7(9)5-4-6(2)8/h6-9H,3-5H2,1-2H3
InChIKey XTVHTJKQKUOEQA-UHFFFAOYSA-N
Mol Weight 132.2 g/mol
Molecular Formula C7H16O2
Exact Mass 132.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18TnpeAJbk
Name 2,5-Heptanediol
CAS Registry Number 70444-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16O2
InChI InChI=1S/C7H16O2/c1-3-7(9)5-4-6(2)8/h6-9H,3-5H2,1-2H3
InChIKey XTVHTJKQKUOEQA-UHFFFAOYSA-N
Molecular Weight 132.203 g/mol
SMILES OC(CCC(C)O)CC
SPLASH splash10-0a4l-9000000000-f5433bcee03d7e1cb953
Source of Spectrum EK-1999-454-0
Synonyms 2,5-Dihydroxyheptane Heptane-2,5-diol
Wiley ID 1133907