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Benzoic acid octadecyl ester
SpectraBase Compound ID Ck4EOuT5DWl
InChI InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3
InChIKey KPWVFNOPNOTYNJ-UHFFFAOYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C25H42O2
Exact Mass 374.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lfAf1S5ugy
Name Benzoic acid octadecyl ester
CAS Registry Number 10578-34-4
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 374.318480590 u
Formula C25H42O2
InChI InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3
InChIKey KPWVFNOPNOTYNJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 374.609 g/mol
Nominal Mass 374 u
Quality 907
Retention Index 2692
SMILES C=1(C(OCCCCCCCCCCCCCCCCCC)=O)C=CC=CC1
SPLASH splash10-00di-5910000000-48365319880691ea083a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Octadecyl benzoate
Technique GC/MS
Wiley ID DD2024_018597