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1-docosyl benzoate
SpectraBase Compound ID D56HVyt1r7o
InChI InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-31-29(30)28-25-22-21-23-26-28/h21-23,25-26H,2-20,24,27H2,1H3
InChIKey IACXYDVFQDGXJF-UHFFFAOYSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zUtC3QJoex
Name 1-docosyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-31-29(30)28-25-22-21-23-26-28/h21-23,25-26H,2-20,24,27H2,1H3
InChIKey IACXYDVFQDGXJF-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890N-Agilent Technologies 5975B
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.201900153
Molecular Weight 430.717 g/mol
SMILES c1cccc(c1)C(=O)OCCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-05fr-7910000000-c73181c603fb39a0f9bf
Source of Spectrum CBD-16-SM22-Fig. S23(A)
Wiley ID 1838400