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Pimelic acid, 2,3-dimethylphenyl heptyl ester
SpectraBase Compound ID 9wgSokTR9uk
InChI InChI=1S/C22H34O4/c1-4-5-6-7-11-17-25-21(23)15-9-8-10-16-22(24)26-20-14-12-13-18(2)19(20)3/h12-14H,4-11,15-17H2,1-3H3
InChIKey NEAGWOVEPWCGIO-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 5uw8KkeIxSh
Name Pimelic acid, 2,3-dimethylphenyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-4-5-6-7-11-17-25-21(23)15-9-8-10-16-22(24)26-20-14-12-13-18(2)19(20)3/h12-14H,4-11,15-17H2,1-3H3
InChIKey NEAGWOVEPWCGIO-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C(CCCCCC(Oc1cccc(c1C)C)=O)(OCCCCCCC)=O
SPLASH splash10-00di-5910000000-f9369f287f828189c7d0
Source of Spectrum TIPS-2022-476-0
Wiley ID 1821993