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Pimelic acid, 3-ethylphenyl heptyl ester
SpectraBase Compound ID Jq0JQSDIrnW
InChI InChI=1S/C22H34O4/c1-3-5-6-7-11-17-25-21(23)15-9-8-10-16-22(24)26-20-14-12-13-19(4-2)18-20/h12-14,18H,3-11,15-17H2,1-2H3
InChIKey ICURQXXAZVCHMB-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bbd0XSony0z
Name Pimelic acid, 3-ethylphenyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-3-5-6-7-11-17-25-21(23)15-9-8-10-16-22(24)26-20-14-12-13-19(4-2)18-20/h12-14,18H,3-11,15-17H2,1-2H3
InChIKey ICURQXXAZVCHMB-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)CC)=O)(OCCCCCCC)=O
SPLASH splash10-00dl-5910000000-96b14b3480b32f914833
Source of Spectrum TIPS-2022-491-0
Wiley ID 1822008