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Pentacontanoic acid, propyl ester
SpectraBase Compound ID FBVO0iJkAz
InChI InChI=1S/C53H106O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-53(54)55-52-4-2/h3-52H2,1-2H3
InChIKey UVKWCJCYEHURAB-UHFFFAOYSA-N
Mol Weight 775.4 g/mol
Molecular Formula C53H106O2
Exact Mass 774.819283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIwwJvc6lKS
Name Pentacontanoic acid, propyl ester
CAS Registry Number 40710-39-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C53H106O2
InChI InChI=1S/C53H106O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-53(54)55-52-4-2/h3-52H2,1-2H3
InChIKey UVKWCJCYEHURAB-UHFFFAOYSA-N
Molecular Weight 775.429 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCC(OCCC)=O
SPLASH splash10-05fr-9300000300-b656830023cfbd856e7a
Source of Spectrum N-3-134-17
Synonyms Propyl pentacontanoate
Wiley ID 66706