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Heptacosane

View entire compound with spectra: 2 NMR, 4 FTIR, and 24 MS (GC)

Heptacosane
SpectraBase Compound ID AWNMnxueAJc
InChI InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey BJQWYEJQWHSSCJ-UHFFFAOYSA-N
Mol Weight 380.7 g/mol
Molecular Formula C27H56
Exact Mass 380.438202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1N1KalDma0
Name Heptacosane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H56
InChI InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey BJQWYEJQWHSSCJ-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100285
Molecular Weight 380.745 g/mol
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-0abi-9100000000-162a0b913ec80959d50d
Source of Spectrum CBD-18-SM8-Figure S1(c)
Wiley ID 1865219