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Sebacic acid, 4-acetylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-acetylphenyl nonyl ester
SpectraBase Compound ID H5fA3laItmz
InChI InChI=1S/C27H42O5/c1-3-4-5-6-9-12-15-22-31-26(29)16-13-10-7-8-11-14-17-27(30)32-25-20-18-24(19-21-25)23(2)28/h18-21H,3-17,22H2,1-2H3
InChIKey XEMOGXSSPLVLTM-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H42O5
Exact Mass 446.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ri6rskVszP
Name Sebacic acid, 4-acetylphenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.303224447 u
Formula C27H42O5
InChI InChI=1S/C27H42O5/c1-3-4-5-6-9-12-15-22-31-26(29)16-13-10-7-8-11-14-17-27(30)32-25-20-18-24(19-21-25)23(2)28/h18-21H,3-17,22H2,1-2H3
InChIKey XEMOGXSSPLVLTM-UHFFFAOYSA-N
Molecular Weight 446.628 g/mol
SMILES C(CCCCC(OC1=CC=C(C(C)=O)C=C1)=O)CCCC(OCCCCCCCCC)=O