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(2S)-(+)-1,2-OCTANEDIOL
SpectraBase Compound ID C3s04cQ8Oan
InChI InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3
InChIKey AEIJTFQOBWATKX-UHFFFAOYSA-N
Mol Weight 146.23 g/mol
Molecular Formula C8H18O2
Exact Mass 146.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2llTAVyHtia
Name 1,2-Octanediol
CAS Registry Number 1117-86-8
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 146.130679818 u
Formula C8H18O2
InChI InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3
InChIKey AEIJTFQOBWATKX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 146.230 g/mol
Nominal Mass 146 u
Quality 1000
Retention Index 1002
SMILES OCC(CCCCCC)O
SPLASH splash10-0a4j-9000000000-e3c7608a9582f26cb64b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,2-Dihydroxyoctane
Technique GC/MS
Wiley ID DD2024_029187