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Pimelic acid, (2-naphthyl)methyl heptyl ester
SpectraBase Compound ID 3RwwDERKIUX
InChI InChI=1S/C25H34O4/c1-2-3-4-5-11-18-28-24(26)14-7-6-8-15-25(27)29-20-21-16-17-22-12-9-10-13-23(22)19-21/h9-10,12-13,16-17,19H,2-8,11,14-15,18,20H2,1H3
InChIKey BSTBIRRAXQEEGM-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KffjfOO1r2P
Name Pimelic acid, (2-naphthyl)methyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-2-3-4-5-11-18-28-24(26)14-7-6-8-15-25(27)29-20-21-16-17-22-12-9-10-13-23(22)19-21/h9-10,12-13,16-17,19H,2-8,11,14-15,18,20H2,1H3
InChIKey BSTBIRRAXQEEGM-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES C(CCCCCC(OCc1cc2c(cc1)cccc2)=O)(OCCCCCCC)=O
SPLASH splash10-052f-2900000000-8cd26cf241c1e6d7fc6a
Source of Spectrum TIPS-2022-467-0
Wiley ID 1821984