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1,2-Propanediol
SpectraBase Compound ID LcY7PiOgyqB
InChI InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey DNIAPMSPPWPWGF-UHFFFAOYSA-N
Mol Weight 76.09 g/mol
Molecular Formula C3H8O2
Exact Mass 76.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JENvgRicuOW
Name 1,2-Propanediol
CAS Registry Number 57-55-6
Classification Skin moisturizer
Comments Spectrum verified by crosschecking against external libraries (two 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 76.052429496 u
Formula C3H8O2
InChI InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey DNIAPMSPPWPWGF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 76.095 g/mol
Nominal Mass 76 u
Quality 989
Retention Index 501
SMILES OCC(O)C
SPLASH splash10-0002-9000000000-88f010ef57970867c657
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Propylenglykol Propane-1,2-diol
Technique GC/MS
Wiley ID DD2024_008406