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3-Methylheptacosane
SpectraBase Compound ID II0J6BYtXiU
InChI InChI=1S/C28H58/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(3)5-2/h28H,4-27H2,1-3H3
InChIKey NTRHFQVDDLHZMZ-UHFFFAOYSA-N
Mol Weight 394.8 g/mol
Molecular Formula C28H58
Exact Mass 394.453852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JENr05E5pAm
Name 3-Methylheptacosane
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 394.453851868 u
Formula C28H58
InChI InChI=1S/C28H58/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(3)5-2/h28H,4-27H2,1-3H3
InChIKey NTRHFQVDDLHZMZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 394.772 g/mol
Nominal Mass 394 u
Quality 1000
Retention Index 2786
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCC)(CC)C
SPLASH splash10-0a4i-9200000000-fecd06d485684471ba94
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-methylheptacosane
Technique GC/MS
Wiley ID DD2024_032840