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Sebacic acid, 10-chlorodecyl undecyl ester

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Sebacic acid, 10-chlorodecyl undecyl ester
SpectraBase Compound ID KyMLVkmAelJ
InChI InChI=1S/C31H59ClO4/c1-2-3-4-5-6-8-13-18-23-28-35-30(33)25-20-15-10-11-16-21-26-31(34)36-29-24-19-14-9-7-12-17-22-27-32/h2-29H2,1H3
InChIKey NAQNUFGYZBYEJE-UHFFFAOYSA-N
Mol Weight 531.3 g/mol
Molecular Formula C31H59ClO4
Exact Mass 530.410188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uqjzcD5TvA
Name Sebacic acid, 10-chlorodecyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.410188076 u
Formula C31H59ClO4
InChI InChI=1S/C31H59ClO4/c1-2-3-4-5-6-8-13-18-23-28-35-30(33)25-20-15-10-11-16-21-26-31(34)36-29-24-19-14-9-7-12-17-22-27-32/h2-29H2,1H3
InChIKey NAQNUFGYZBYEJE-UHFFFAOYSA-N
Molecular Weight 531.262 g/mol
SMILES C(CCC(OCCCCCCCCCCCl)=O)CCCCCC(OCCCCCCCCCCC)=O