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Sebacic acid, benzyl octyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Sebacic acid, benzyl octyl ester
SpectraBase Compound ID 55Edmfx7ydU
InChI InChI=1S/C25H40O4/c1-2-3-4-5-10-16-21-28-24(26)19-14-8-6-7-9-15-20-25(27)29-22-23-17-12-11-13-18-23/h11-13,17-18H,2-10,14-16,19-22H2,1H3
InChIKey OLJFYSAXEGXCEK-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATlTlVJBmRn
Name Sebacic acid, benzyl octyl ester
CAS Registry Number 39013-04-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-2-3-4-5-10-16-21-28-24(26)19-14-8-6-7-9-15-20-25(27)29-22-23-17-12-11-13-18-23/h11-13,17-18H,2-10,14-16,19-22H2,1H3
InChIKey OLJFYSAXEGXCEK-UHFFFAOYSA-N
Instrument Name Varian HA-100
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3